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

Systemtic Name: N-cyclopropyl-2-[4-(6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

InChI

InChI=1S/C22H30N6O2/c1-14(2)28-21-18(12-23-28)17(11-19(25-21)15-3-4-15)22(30)27-9-7-26(8-10-27)13-20(29)24-16-5-6-16/h11-12,14-16H,3-10,13H2,1-2H3,(H,24,29)/p+1