Molecule ID: 9798973

IUPAC Name: 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine

Description: The molecule is a pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl group at position 1 and by a 4-amino-5-cyclopropylpyrimidin-2-yl group at position 3. It is an activator of soluble guanylate cyclase. It has a role as a soluble guanylate cyclase activator, a platelet aggregation inhibitor, a vasodilator agent and an antihypertensive agent. It is a pyrazolopyridine, a member of monofluorobenzenes, an aminopyrimidine and a member of cyclopropanes.

SMILES: N=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1

SELFIES: [N][=C][NH1][C][Branch2][Ring1][#Branch2][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][#Branch1][C][C][C][Ring1][Ring1]

InChI: InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)

Molecular Properties:
- Polar Surface Area: 82.5 Ų
- LogP: 3.1