Molecule ID: 42633347

IUPAC Name: 1-[6-[2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Description: The molecule is a biphenyl that is 1,1'-biphenyl substituted by a methyl group at position 3, a (2-{6-[4-carboxy-5-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-2-yl}phenoxy)methyl group at position 4 and by a trifluoromethoxy at position 4'. It is a potent guanylate cyclase activator. It has a role as a soluble guanylate cyclase activator and an antihypertensive agent. It is a member of biphenyls, an aromatic ether, a member of pyridines, a member of pyrazoles, a monocarboxylic acid and an organofluorine compound.

SMILES: Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1COc1ccccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1

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

InChI: InChI=1S/C31H21F6N3O4/c1-18-15-20(19-11-13-22(14-12-19)44-31(35,36)37)9-10-21(18)17-43-26-7-3-2-5-23(26)25-6-4-8-27(39-25)40-28(30(32,33)34)24(16-38-40)29(41)42/h2-16H,17H2,1H3,(H,41,42)

Molecular Properties:
- Polar Surface Area: 86.5 Ų
- LogP: 7.9