4-[bis(fluoranyl)methyl]-2-cyclopentyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine

Systemtic Name: 4-[bis(fluoranyl)methyl]-2-cyclopentyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Openeye Name: 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine CAS Name: 2-cyclopentyl-4-(difluoromethyl)-6-(1-piperazin-4-iumyl)pyrazolo[3,4-b]pyridine IUPAC Name: 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-4-ium-1-ylpyrazolo[3,4-b]pyridine Traditional Name: 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Formula: C16H22F2N5+ MolecularWeight: 322.376186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C3C(=CC(=NC3=N2)N4CC[NH2+]CC4)C(F)F

Isomeric SMILES

C1CCC(C1)N2C=C3C(=CC(=NC3=N2)N4CC[NH2+]CC4)C(F)F

InChI

InChI=1S/C16H21F2N5/c17-15(18)12-9-14(22-7-5-19-6-8-22)20-16-13(12)10-23(21-16)11-3-1-2-4-11/h9-11,15,19H,1-8H2/p+1