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

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methyl-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-1-methyl-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-1-methyl-3-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)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(CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)OC)C(=O)O

Isomeric SMILES

CN1C2=NC=C(C(=C2C(=N1)C3=CC=CC=C3)N(CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)OC)C(=O)O

InChI

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