1-(2,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 1-(2,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 1-(2,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 1-(2,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-(2,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1-(2,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C29H27N5O7S MolecularWeight: 589.61898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)C5=C(C=C(C=C5)OC)OC

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)C5=C(C=C(C=C5)OC)OC

InChI

InChI=1S/C29H27N5O7S/c1-18-26-27(33(17-19-6-5-13-30-15-19)42(37,38)22-10-7-20(39-2)8-11-22)23(29(35)36)16-31-28(26)34(32-18)24-12-9-21(40-3)14-25(24)41-4/h5-16H,17H2,1-4H3,(H,35,36)