Molecule ID: 6450551

IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide

Description: The molecule is an indazole substituted at position 3 by a 2-(pyridin-2-yl)vinyl group and at position 6 by a 2-(N-methylaminocarboxy)phenylsulfanyl group. Used for the treatment of advanced renal cell carcinoma after failure of a first line systemic treatment. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of indazoles, a member of pyridines, an aryl sulfide and a member of benzamides.

SMILES: CN=C(O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1

SELFIES: [C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][N][=C][Ring1][=N][C][=Ring1][P]

InChI: InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+

Molecular Properties:
- Polar Surface Area: 96.0 Ų
- LogP: 4.2