Molecule ID: 5353

IUPAC Name: 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine

Description: The molecule is an imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardiotonic agent. It has a role as a cardiotonic drug, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and an adenosine A1 receptor antagonist. It is an imidazopyridine and a sulfoxide.

SMILES: COc1cc(S(C)=O)ccc1-c1nc2cccnc2[nH]1

SELFIES: [C][O][C][=C][C][Branch1][=Branch1][S][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]

InChI: InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)

Molecular Properties:
- Polar Surface Area: 87.1 Ų
- LogP: 1.2