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

Systemtic Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (1-butyl-6-cyclopropyl-3-methyl-4-pyrazolo[3,4-b]pyridinyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-tosylpiperazino)methanone Formula: C26H33N5O3S MolecularWeight: 495.63692

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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=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O3S/c1-4-5-12-31-25-24(19(3)28-31)22(17-23(27-25)20-8-9-20)26(32)29-13-15-30(16-14-29)35(33,34)21-10-6-18(2)7-11-21/h6-7,10-11,17,20H,4-5,8-9,12-16H2,1-3H3