[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-pyridin-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-pyridin-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-methyl-1-(2-pyridyl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-methyl-1-(2-pyridinyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-methyl-1-(2-pyridyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H27N7O3 MolecularWeight: 497.54838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CN=C3C(=C2)C(=NN3C4=CC=CC=N4)C)C5CCCC5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CN=C3C(=C2)C(=NN3C4=CC=CC=N4)C)C5CCCC5)C

InChI

InChI=1S/C27H27N7O3/c1-16-18(3)33(20-8-4-5-9-20)26(22(16)13-28)31-24(35)15-37-27(36)19-12-21-17(2)32-34(25(21)30-14-19)23-10-6-7-11-29-23/h6-7,10-12,14,20H,4-5,8-9,15H2,1-3H3,(H,31,35)