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

Systemtic Name: (6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CS5

InChI

InChI=1S/C22H27N5OS/c1-15(2)27-21-19(13-23-27)18(12-20(24-21)16-5-6-16)22(28)26-9-7-25(8-10-26)14-17-4-3-11-29-17/h3-4,11-13,15-16H,5-10,14H2,1-2H3/p+1