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

Systemtic Name: 2-[4-[6-(furan-2-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[6-(2-furanyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[6-(2-furyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H31N6O3+ MolecularWeight: 451.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CO3)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C24H30N6O3/c1-17(2)30-23-19(15-25-30)18(14-20(26-23)21-6-5-13-33-21)24(32)29-11-9-27(10-12-29)16-22(31)28-7-3-4-8-28/h5-6,13-15,17H,3-4,7-12,16H2,1-2H3/p+1