(4-methylpiperazin-4-ium-1-yl)-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Formula: C24H25N6O+ MolecularWeight: 413.4949

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O/c1-28-11-13-29(14-12-28)24(31)20-15-22(19-5-3-2-4-6-19)27-23-21(20)16-26-30(23)17-18-7-9-25-10-8-18/h2-10,15-16H,11-14,17H2,1H3/p+1