4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-1-methyl-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-1-methyl-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-1-methyl-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-1-methyl-3-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-1-methyl-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C27H23N5O5S MolecularWeight: 529.56702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C(C(=C2C(=N1)C3=CC=CC=C3)N(CS(=O)(=O)C4=CC=C(C=C4)OC)C5=CN=CC=C5)C(=O)O

Isomeric SMILES

CN1C2=NC=C(C(=C2C(=N1)C3=CC=CC=C3)N(CS(=O)(=O)C4=CC=C(C=C4)OC)C5=CN=CC=C5)C(=O)O

InChI

InChI=1S/C27H23N5O5S/c1-31-26-23(24(30-31)18-7-4-3-5-8-18)25(22(16-29-26)27(33)34)32(19-9-6-14-28-15-19)17-38(35,36)21-12-10-20(37-2)11-13-21/h3-16H,17H2,1-2H3,(H,33,34)