4-[[4-(6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C25H29N6O+ MolecularWeight: 429.53736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H28N6O/c1-17(2)31-24-22(15-27-31)21(13-23(28-24)20-7-8-20)25(32)30-11-9-29(10-12-30)16-19-5-3-18(14-26)4-6-19/h3-6,13,15,17,20H,7-12,16H2,1-2H3/p+1