4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[3-(1-imidazolyl)propylamino]-3-methyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-(3-imidazol-1-ylpropylamino)-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)NCCCN4C=CN=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)NCCCN4C=CN=C4)C(=O)O

InChI

InChI=1S/C21H22N6O2/c1-14-4-6-16(7-5-14)27-20-18(15(2)25-27)19(17(12-24-20)21(28)29)23-8-3-10-26-11-9-22-13-26/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,23,24)(H,28,29)