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

Systemtic Name: 2-[4-(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-(6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H35N6O2+ MolecularWeight: 475.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCCC5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCCC5

InChI

InChI=1S/C27H34N6O2/c1-20(2)33-26-23(18-28-33)22(17-24(29-26)21-9-5-3-6-10-21)27(35)32-15-13-30(14-16-32)19-25(34)31-11-7-4-8-12-31/h3,5-6,9-10,17-18,20H,4,7-8,11-16,19H2,1-2H3/p+1