3-methyl-1-[(4-methylphenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 3-methyl-1-[(4-methylphenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 3-methyl-6-phenyl-1-(p-tolylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 3-methyl-1-[(4-methylphenyl)methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 3-methyl-1-(4-methylbenzyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=N2)C)C(=CC(=N3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H19N3O2/c1-14-8-10-16(11-9-14)13-25-21-20(15(2)24-25)18(22(26)27)12-19(23-21)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,26,27)