(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

InChI

InChI=1S/C25H27N5OS/c1-18(2)30-24-22(16-26-30)21(15-23(27-24)19-7-4-3-5-8-19)25(31)29-12-10-28(11-13-29)17-20-9-6-14-32-20/h3-9,14-16,18H,10-13,17H2,1-2H3/p+1