2-[4-(6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H30N6O2/c1-15(2)27-20-17(13-22-27)12-18(16(3)23-20)21(29)26-10-8-24(9-11-26)14-19(28)25-6-4-5-7-25/h12-13,15H,4-11,14H2,1-3H3/p+1