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

Systemtic Name: 1-ethyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 1-ethyl-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 1-ethyl-4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-ethyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1-ethyl-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=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

CCN1C2=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/C28H25N5O5S/c1-3-32-27-24(25(31-32)20-9-5-4-6-10-20)26(23(17-30-27)28(34)35)33(18-19-8-7-15-29-16-19)39(36,37)22-13-11-21(38-2)12-14-22/h4-17H,3,18H2,1-2H3,(H,34,35)