(1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(1-butyl-6-cyclopropyl-3-methyl-4-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-4-yl)methanone Traditional Name: (4-besylpiperazino)-(1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)methanone Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5O3S/c1-3-4-12-30-24-23(18(2)27-30)21(17-22(26-24)19-10-11-19)25(31)28-13-15-29(16-14-28)34(32,33)20-8-6-5-7-9-20/h5-9,17,19H,3-4,10-16H2,1-2H3