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

Systemtic Name: methyl 3-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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