Compound: Palbociclib
SMILES: O=c1n(c2nc(ncc2c(c1C(=O)C)C)Nc3ncc(N4CCNCC4)cc3)C5CCCC5
InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N
Synonyms: Palbociclib, 571190-30-2, Ibrance, PD-0332991, PD0332991, PD 0332991, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one, G9ZF61LE7G, PD 332991, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one, CHEBI:85993, DTXSID40972590, 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-, Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-, palbociclibum, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-piperazin-1-ylpyridin-2-yl)amino)pyrido(6,5-d)pyrimidin-7-one, 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one, RefChem:6097, DTXCID80207212, L01XE33, PD 991, UNII-G9ZF61LE7G, MFCD11840850, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Palbociclib(PD0332991), C24H29N7O2, LQQ, Palbociclib free base, 2euf, Palbociclib [USAN], PD-332991, 571190-30-2 (free base), Palbociclib [USAN:INN], Palbociclib?, Palbociclib base, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Ibrance (TN), Kinome_3823, Kinome_3824, Palbociclib (Standard), PALBOCICLIB [MI], 6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8h-pyrido[2,3-d]pyrimidin-7-one hydrochloride, PALBOCICLIB [INN], PALBOCICLIB [JAN], Palbociclib (JAN/USAN), PALBOCICLIB [WHO-DD], 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one, 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one, SCHEMBL462630, BDBM6309, CHEMBL189963, GTPL7380, orb1307454, Palbociclib - Bio-X trade mark, SCHEMBL29362383, SCHEMBL29379411, SCHEMBL30584526, EX-A408, PALBOCICLIB [ORANGE BOOK], 2euf; PD 0332991, AHJRHEGDXFFMBM-UHFFFAOYSA-N, GLXC-90113, HMS3265M09, HMS3265M10, HMS3265N09, HMS3265N10, HMS3744G13, HMS5087D18, EBC-17116, HY-50767R, NSC758247, NSC772256, NSC800815, s4482, AKOS022205241, DB09073, FA65120, NSC-758247, NSC-772256, NSC-800815, SB40426, SDCCGSBI-0646936.P001, Pyrido-[2,3-d]-pyrimidin-7-one 43, NCGC00263129-01, NCGC00263129-08, NCGC00263129-21, NCGC00263129-22, 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrido[2,3-d]pyrimidin-7-one, AC-25485, AS-17016, BP-43645, BP-44037, BP166224, HY-50767, SY026143, 571190-30-2(DMSO), NS00069617, D10372, EN300-18531248, F794410, PD 0332991,PD0332991, BRD-K51313569-001-01-1, BRD-K51313569-001-07-8, BRD-K51313569-003-03-3, Q15269707, Z2216894329, 6-acetyl-8-cyclopentyl-5-methyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)-pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one, 8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
Theoretical properties:
molecular_formula: C24H29N7O2
molecular_weight: 447.5 g/mol
exact_mass: 447.23827319 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 5
heavy_atom_count: 33
topological_polar_surface_area: 103 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 263-266 ºC
Descriptions:
pubchem: Palbociclib is a member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of cyclopentanes, a member of piperidines, an aminopyridine, a pyridopyrimidine, a secondary amino compound, a tertiary amino compound and an aromatic ketone.
chebi: A member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-<em>d</em>]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer.
chembl: PALBOCICLIB is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Palbociclib, sold under the brand name Ibrance among others, is a medication developed by Pfizer for the treatment of HR-positive and HER2-negative breast cancer. It is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6. Palbociclib was the first CDK4/6 inhibitor to be approved as a cancer therapy.