4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 1-isopropyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1-isopropyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C23H23N5O5S MolecularWeight: 481.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C(=C2C=N1)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC(C)N1C2=NC=C(C(=C2C=N1)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C23H23N5O5S/c1-15(2)28-22-19(13-26-28)21(20(12-25-22)23(29)30)27(16-5-4-10-24-11-16)14-34(31,32)18-8-6-17(33-3)7-9-18/h4-13,15H,14H2,1-3H3,(H,29,30)