2-[4-(1,3-dimethyl-6-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(1,3-dimethyl-6-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(6-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(1,3-dimethyl-6-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(6-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C23H35N6O2+ MolecularWeight: 427.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4)C

InChI

InChI=1S/C23H34N6O2/c1-16(2)19-14-18(21-17(3)25-26(4)22(21)24-19)23(31)29-12-10-27(11-13-29)15-20(30)28-8-6-5-7-9-28/h14,16H,5-13,15H2,1-4H3/p+1