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

Systemtic Name: 1-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 1-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 1-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-3-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O5S/c1-16-21-22(20(24(31)32)14-27-23(21)30(28-16)25(2,3)4)29(17-7-6-12-26-13-17)15-36(33,34)19-10-8-18(35-5)9-11-19/h6-14H,15H2,1-5H3,(H,31,32)