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

Systemtic Name: (6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(3-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=CSC=C5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC5=CSC=C5

InChI

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