1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 1-ethyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C23H26N7OS+ MolecularWeight: 448.56384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CN=C(C=C4)N5CC[NH+](CC5)C

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CN=C(C=C4)N5CC[NH+](CC5)C

InChI

InChI=1S/C23H25N7OS/c1-3-30-22-18(15-25-30)17(13-19(27-22)20-5-4-12-32-20)23(31)26-16-6-7-21(24-14-16)29-10-8-28(2)9-11-29/h4-7,12-15H,3,8-11H2,1-2H3,(H,26,31)/p+1