Compound: Apixaban
SMILES: O=C1N(c2ccc(N3C(=O)CCCC3)cc2)CCc4c1n(nc4C(=O)N)-c5ccc(OC)cc5
InChIKey: QNZCBYKSOIHPEH-UHFFFAOYSA-N
Synonyms: Apixaban, 503612-47-3, Eliquis, BMS-562247, BMS-562247-01, 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, BMS 562247-01, apixabanum, 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, 3Z9Y7UWC1J, CHEBI:72296, DTXSID80436500, BMS562247, 1H-Pyrazolo(3,4-c)pyridine-3-carboxamide,4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-, 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxamide, RefChem:5558, ELIQUIS 30-Day Starter Pack, B01AF02, DTXCID60387324, 1H-Pyrazolo(3,4-c)pyridine-3-carboxamide, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-, MFCD11977295, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide, Apixaban 13CD3, C25H25N5O4, CHEMBL231779, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide, Apixaban [USAN], GG2, Eliquis (TN), UNII-3Z9Y7UWC1J, Apixaban (JAN/USAN/INN), Apixaban [USAN:INN:JAN], HSDB 8223, Apixaban (Standard), BMS 562247, APIXABAN [INN], APIXABAN [JAN], APIXABAN [MI], APIXABAN [VANDF], APIXABAN [MART.], APIXABAN [WHO-DD], APIXABAN [EMA EPAR], Apixaban - Bio-X trade mark, MLS006010026, SCHEMBL118023, APIXABAN [ORANGE BOOK], GTPL6390, orb1307573, orb3141365, Apixaban,BMS-562247-01, BDBM19023, EX-A048, 2p16, QNZCBYKSOIHPEH-UHFFFAOYSA-N, GLXC-90058, HMS3655O07, HMS5079A18, Apixaban (BMS 562247-01), EBC-11355, HY-50667R, MSK159567, NSC784102, s1593, Apixaban (BMS 562247-01)?, AKOS005146204, CCG-229675, CS-0401, DB06605, FM61539, ME-0152, NSC-784102, PB10976, NCGC00346555-01, NCGC00346555-02, NCGC00346555-05, NCGC00346555-08, 1-(4-Methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid amide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidyl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide, AC-26301, BM164185, HY-50667, SMR004676529, SY097159, NS00014946, SW220177-1, D03213, AB01565766_02, AR-270/43507990, Q414462, BRD-K67121414-001-02-5, BRD-K67121414-001-03-3, Z195110238, 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXOPIPERIDIN-1-YL)PHENYI)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE, 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4c)pyridine-3-carboxamide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo piperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide, 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, 1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE, 4,5,6,7-TETRAHYDRO-1-( 4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-
Theoretical properties:
molecular_formula: C25H25N5O4
molecular_weight: 459.5 g/mol
exact_mass: 459.19065430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 5
heavy_atom_count: 34
topological_polar_surface_area: 111 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to pale-yellow powder
color: White to pale-yellow powder
solubility: 0.11mg/mL
Descriptions:
{"pubchem": "Apixaban is a pyrazolopyridine that is 7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide substituted at position 1 by a 4-methoxyphenyl group and at position 6 by a 4-(2-oxopiperidin-1-yl)phenyl group. It is used for the prevention and treatment of thromboembolic diseases. It has a role as an anticoagulant and an EC 3.4.21.6 (coagulation factor Xa) inhibitor. It is a lactam, an aromatic ether, a pyrazolopyridine and a member of piperidones.", "chebi": "A pyrazolopyridine that is 7-oxo-4,5,6,7-tetrahydro-1<em>H</em>-pyrazolo[3,4-<em>c</em>]pyridine-3-carboxamide substituted at position 1 by a 4-methoxyphenyl group and at position 6 by a 4-(2-oxopiperidin-1-yl)phenyl group. It is used for the prevention and treatment of thromboembolic diseases.", "chembl": "APIXABAN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Apixaban, sold under the brand name Eliquis, is an anticoagulant medication used to treat and prevent blood clots and to prevent stroke in people with nonvalvular atrial fibrillation through directly inhibiting factor Xa. It is used as an alternative to warfarin to prevent blood clots following hip or knee replacement and in those with a history of prior clots and does not require monitoring by blood tests or dietary restrictions. It is taken by mouth.\nCommon side effects include bleeding and nausea. Other side effects may include bleeding around the spine and allergic reactions. Use is not recommended during pregnancy or breastfeeding. Use appears to be relatively safe in those with mild kidney problems. Compared to warfarin it has fewer interactions with other medications. It is a direct factor Xa inhibitor.\nIn 2007, Pfizer and Bristol-Myers Squibb began the development of apixaban as an anticoagulant. Apixaban was approved for medical use in the European Union in May 2011, and in the United States in December 2012. It is on the World Health Organization's List of Essential Medicines. In 2023, it was the 28th most commonly prescribed medication in the United States, with more than 19 million prescriptions. It is available as a generic medication, although not in the United States."}