N-cyclopropyl-2-[4-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C28H30N7O2+ MolecularWeight: 496.5835

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=C3C=NN4CC5=CC=NC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=C3C=NN4CC5=CC=NC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H29N7O2/c36-26(31-22-6-7-22)19-33-12-14-34(15-13-33)28(37)23-16-25(21-4-2-1-3-5-21)32-27-24(23)17-30-35(27)18-20-8-10-29-11-9-20/h1-5,8-11,16-17,22H,6-7,12-15,18-19H2,(H,31,36)/p+1