Molecule ID: 42647297

IUPAC Name: N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-4-methylbenzamide

Description: The molecule is a member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzoic acid with the amino group of cyclopropylamine. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of benzamides, an organofluorine compound, a pyrazolopyridine, an aromatic amine, a secondary amino compound and a member of cyclopropanes.

SMILES: Cc1ccc(C(O)=NC2CC2)cc1Nc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F

SELFIES: [C][C][=C][C][=C][Branch1][O][C][Branch1][C][O][=N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][Branch2][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]

InChI: InChI=1S/C24H21F2N5O2/c1-13-3-4-14(23(33)28-16-6-7-16)9-19(13)29-20-11-22(32)30(2)24-17(20)12-27-31(24)21-8-5-15(25)10-18(21)26/h3-5,8-12,16,29H,6-7H2,1-2H3,(H,28,33)

Molecular Properties:
- Polar Surface Area: 79.3 Ų
- LogP: 3.5