methyl 3-[(3-methyl-1-pyridin-2-yl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(3-methyl-1-pyridin-2-yl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]benzoate Openeye Name: methyl 3-[[3-methyl-1-(2-pyridyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]benzoate CAS Name: 3-[[[3-methyl-1-(2-pyridinyl)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate Traditional Name: 3-[[3-methyl-1-(2-pyridyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]benzoic acid methyl ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=N4

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C21H17N5O3/c1-13-17-11-15(12-23-19(17)26(25-13)18-8-3-4-9-22-18)20(27)24-16-7-5-6-14(10-16)21(28)29-2/h3-12H,1-2H3,(H,24,27)