Molecule ID: 46926364

IUPAC Name: 7-fluoro-3-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]furo[3,2-c]pyridine-2-carboxamide

Description: The molecule is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxylic acid with the amino group of (2S)-1-(aminooxy)propan-2-ol. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor and an antineoplastic agent. It is a furopyridine, an organofluorine compound, an organoiodine compound, an aromatic amine, a secondary amino compound, a secondary alcohol and a monocarboxylic acid amide.

SMILES: C[C@H](O)CON=C(O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F

SELFIES: [C][C@H1][Branch1][C][O][C][O][N][=C][Branch1][C][O][C][O][C][=C][Branch1][C][F][C][=N][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][F]

InChI: InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.6 Ų
- LogP: 3.6