Compound: ibudilast
SMILES: O=C(c1c2n(cccc2)nc1C(C)C)C(C)C
InChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-N
Synonyms: ibudilast, 50847-11-5, Ketas, KC-404, Ibudilastum, MN-166, AV-411, AV411, 3-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine, 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one, 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine, AV 411, DTXSID7049007, M0TTH61XC5, 1-(2-Isopropylpyrazolo(1,5-a)pyridin-3-yl)-2-methyl-1-propanone, DTXCID2028933, 2-methyl-1-(2-propan-2-ylpyrazolo(1,5-a)pyridin-3-yl)propan-1-one, MN166, RefChem:789642, R03DC04, 1-(2-isopropylpyrazolo(1,5-alpha)pyridin-3-yl)-2-methyl-1-propanone, 1-(2-(1-Methylethyl)pyrazolo(1,5-a)pyridin-3-yl)-2-methylpropan-1-one, Ke Tas, Eyevinal, Ibudilastum [Latin], Ibudilast [INN:JAN], 1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one, Ketas (TN), UNII-M0TTH61XC5, 1-Propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-, MFCD00864808, Tocris-1694, Lopac-I-0157, 2-Isopropyl-3-isobutyrylpyrazolo(1,5-a)pyridine, 2-Methyl-1-[2-(Propan-2-Yl)pyrazolo[1,5-A]pyridin-3-Yl]propan-1-One, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone, CHEMBL19449, KC-404;AV-411;MN-166, 2-isopropyl-3-isobutyrylpyrazolo[1,5-a]pyridine, NCGC00015542-05, 1-Propanone, 2-methyl-1-(2-(1-methylethyl)pyrazolo(1,5-a)pyridin-3-yl)-, Pinatos, Ibudilast (JAN/INN), CAS-50847-11-5, SR-01000075927, BRN 0656579, I0157_SIGMA, Ibudilast?, Pyrazolo(1,5-a)pyridine, 3-isobutyryl-2-isopropyl-, Ibudilast (Standard), IBUDILAST [INN], IBUDILAST [JAN], IBUDILAST [MI], Ibudilast (JP18/INN), IBUDILAST [MART.], I 0157, IBUDILAST [WHO-DD], Lopac0_000599, SCHEMBL30390, 5-24-03-00396 (Beilstein Handbook Reference), MLS000862198, GTPL7399, orb1306386, CHEBI:31684, HY-B0763R, HMS2089B21, HMS2233H08, HMS3261H20, HMS3268O11, HMS3374P02, HMS3412B20, HMS3676B20, HMS3715L09, HMS3886M03, HMS5083D12, CEA06445, HY-B0763, MSK10258, Tox21_113503, Tox21_500599, 1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one, BDBM50240404, EBC-47047, s4837, SBB056343, Ibudilast, >=99% (HPLC), solid, 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl] 1-propanone, AKOS015895123, Tox21_113503_1, AC-1044, CCG-204688, DB05266, FI24525, LP00599, SB19092, SDCCGSBI-0050581.P002, NCGC00015542-01, NCGC00015542-02, NCGC00015542-03, NCGC00015542-04, NCGC00015542-06, NCGC00015542-07, NCGC00015542-17, NCGC00025261-01, NCGC00025261-02, NCGC00025261-03, NCGC00025261-04, NCGC00261284-01, SMR000326961, SY051343, EU-0100599, I0740, NS00068102, D01385, F20666, AB00698306-06, 3-Isobutyryl-2-isopropyl-Pyrazolo(1,5-a)pyridine, EN300-18563279, F069148, H-20256, L003042, Q261167, SR-01000075927-1, SR-01000075927-3, SR-01000075927-6, BRD-K16444452-001-03-4, BRD-K16444452-001-09-1, Z2588063484, 1-(2-isopropylH-pyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one, 1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one, 1-(2-Isopropyl-pyrazolo[1,5-alpha]pyridin-3-yl)-2-methyl-propan-1-one, 1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-on  e, 1-(2-isopropylpyrazolo[1,5-alpha]pyridin-3-yl)-2-methylpropan-1-one, (Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one, 1-(2-ISOPROPYLPYRAZOLO(1,5-.ALPHA.)PYRIDIN-3-YL)-2-METHYL-1-PROPANONE, 1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one (Ibudilast), 2-methyl-1-[2-(methylethyl)(8-hydropyrazolo[1,5-a]pyridin-3-yl)]propan-1-one, AVL
Theoretical properties:
molecular_formula: C14H18N2O
molecular_weight: 230.31 g/mol
exact_mass: 230.141913202 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 17
topological_polar_surface_area: 34.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 1.79e-01 g/L
Descriptions:
pubchem: Ibudilast is a pyrazolopyridine.
chembl: IBUDILAST is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Ibudilast  (development codes: AV-411 or MN-166) is an anti-inflammatory drug used mainly in Japan, which acts as a phosphodiesterase inhibitor, inhibiting the PDE4 subtype to the greatest extent, but also showing significant inhibition of other PDE subtypes.