5-[(1,3-benzodioxol-5-ylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-3-(4-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 5-[(1,3-benzodioxol-5-ylamino)methyl]-1-phenyl-3-(p-tolyl)-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H22N4O3/c1-17-7-9-18(10-8-17)25-22-13-19(15-28-20-11-12-23-24(14-20)34-16-33-23)27(32)29-26(22)31(30-25)21-5-3-2-4-6-21/h2-14,28,30H,15-16H2,1H3