methyl 2-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate Traditional Name: 2-[[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoic acid methyl ester Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5O3/c1-35-27(34)20-9-5-6-10-23(20)31-26(33)21-15-24(19-7-3-2-4-8-19)30-25-22(21)16-29-32(25)17-18-11-13-28-14-12-18/h2-16H,17H2,1H3,(H,31,33)