Molecule ID: 10014426

IUPAC Name: 6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole

Description: The molecule is a fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin. It has a role as an EC 1.13.11.11 (tryptophan 2,3-dioxygenase) inhibitor. It is a fluoroindole, a member of pyridines and an olefinic compound.

SMILES: Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1

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

InChI: InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+

Molecular Properties:
- Polar Surface Area: 28.7 Ų
- LogP: 3.3