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

Systemtic Name: 4-[bis(fluoranyl)methyl]-2-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Openeye Name: 4-(difluoromethyl)-2-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine CAS Name: 4-(difluoromethyl)-2-methyl-6-(1-piperazin-4-iumyl)pyrazolo[3,4-b]pyridine IUPAC Name: 4-(difluoromethyl)-2-methyl-6-piperazin-4-ium-1-ylpyrazolo[3,4-b]pyridine Traditional Name: 4-(difluoromethyl)-2-methyl-6-piperazin-4-ium-1-yl-pyrazolo[3,4-b]pyridine Formula: C12H16F2N5+ MolecularWeight: 268.285746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F

Isomeric SMILES

CN1C=C2C(=CC(=NC2=N1)N3CC[NH2+]CC3)C(F)F

InChI

InChI=1S/C12H15F2N5/c1-18-7-9-8(11(13)14)6-10(16-12(9)17-18)19-4-2-15-3-5-19/h6-7,11,15H,2-5H2,1H3/p+1