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

Systemtic Name: (6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C25H32N5O2+ MolecularWeight: 434.55388

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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)CCOC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CC[NH+](CC4)CCOC5=CC=CC=C5

InChI

InChI=1S/C25H31N5O2/c1-18(2)30-24-22(17-26-30)21(16-23(27-24)19-8-9-19)25(31)29-12-10-28(11-13-29)14-15-32-20-6-4-3-5-7-20/h3-7,16-19H,8-15H2,1-2H3/p+1