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

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-isopropyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-isopropyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CN=C3C(=C2)C=NN3C(C)C)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CN=C3C(=C2)C=NN3C(C)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H28N6O/c1-15(2)28-21-17(14-24-28)12-18(13-23-21)22(29)25-19-5-6-20(16(3)11-19)27-9-7-26(4)8-10-27/h5-6,11-15H,7-10H2,1-4H3,(H,25,29)/p+1