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

Systemtic Name: 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 5-[(cyclopentylamino)methyl]-3-(m-tolyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 5-[(cyclopentylamino)methyl]-3-(3-methylphenyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 5-[(cyclopentylamino)methyl]-3-(m-tolyl)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C25H26N4O MolecularWeight: 398.50014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNC5CCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3C=C(C(=O)N=C3N(N2)C4=CC=CC=C4)CNC5CCCC5

InChI

InChI=1S/C25H26N4O/c1-17-8-7-9-18(14-17)23-22-15-19(16-26-20-10-5-6-11-20)25(30)27-24(22)29(28-23)21-12-3-2-4-13-21/h2-4,7-9,12-15,20,26,28H,5-6,10-11,16H2,1H3