(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C23H22N6O2/c1-14(2)28-22-20(12-25-28)18(10-15(3)26-22)23(30)31-13-21-19(11-24)16(4)27-29(21)17-8-6-5-7-9-17/h5-10,12,14H,13H2,1-4H3