(1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: (1-butyl-6-cyclopropyl-3-methyl-4-pyrazolo[3,4-b]pyridinyl)-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (1-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (1-butyl-6-cyclopropyl-3-methyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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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=CS5

Isomeric SMILES

CCCCN1C2=C(C(=N1)C)C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H29N5O3S2/c1-3-4-9-28-22-21(16(2)25-28)18(15-19(24-22)17-7-8-17)23(29)26-10-12-27(13-11-26)33(30,31)20-6-5-14-32-20/h5-6,14-15,17H,3-4,7-13H2,1-2H3