4-chloranyl-1-(4-fluorophenyl)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 4-chloranyl-1-(4-fluorophenyl)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1-piperazin-4-iumyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C19H21ClFN6O+ MolecularWeight: 403.861043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NN3CC[NH+](CC3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NN3CC[NH+](CC3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H20ClFN6O/c1-12-16-17(20)15(19(28)24-26-9-7-25(2)8-10-26)11-22-18(16)27(23-12)14-5-3-13(21)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,24,28)/p+1