N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-isopropyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-isopropyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H26N7O+ MolecularWeight: 380.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H25N7O/c1-14(2)27-19-15(12-23-27)10-16(11-22-19)20(28)24-17-4-5-18(21-13-17)26-8-6-25(3)7-9-26/h4-5,10-14H,6-9H2,1-3H3,(H,24,28)/p+1