Molecule ID: 46926973

IUPAC Name: 2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide

Description: The molecule is a carboxamide, the structure of which is that of acetamide substituted on carbon by a 2',3-dimethyl-2,4'-bipyridin-5-yl group and on nitrogen by a 5-(pyrazin-2-yl)pyridin-2-yl group. It is a highly potent, selective and orally bioavailable Porcupine inhibitor (a Wnt signalling inhibitor). It has a role as a Wnt signalling inhibitor. It is a member of bipyridines, a member of pyrazines, a member of pyridines and a secondary carboxamide. It derives from an acetamide.

SMILES: Cc1cc(-c2ncc(CC(O)=Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1

SELFIES: [C][C][=C][C][Branch2][Ring2][=Branch1][C][=N][C][=C][Branch2][Ring1][=Branch2][C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=N][Ring2][Ring1][=N]

InChI: InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)

Molecular Properties:
- Polar Surface Area: 93.6 Ų
- LogP: 1.8