Molecule ID: 51039095

IUPAC Name: N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide

Description: The molecule is a member of the class of benzamides that is a carboxamide resulting from the formal condensation of the carboxy group of 4-(cis-3,5-dimethylpiperazin-1-yl)benzoic acid with the amino substituent of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine. It is an inhibitor of the fibroblast growth factor receptor (FGFR). It has a role as a fibroblast growth factor receptor antagonist. It is a member of pyrazoles, a N-arylpiperazine and a member of benzamides.

SMILES: COc1cc(CCc2cc(N=C(O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)cc3)n[nH]2)cc(OC)c1

SELFIES: [C][O][C][=C][C][Branch2][Ring2][O][C][C][C][=C][C][Branch2][Ring1][=C][N][=C][Branch1][C][O][C][=C][C][=C][Branch1][#C][N][C][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][=N][NH1][Ring2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S]

InChI: InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+

Molecular Properties:
- Polar Surface Area: 91.5 Ų
- LogP: 3.9