[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)methanone Formula: C20H30N6O3S MolecularWeight: 434.5556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H30N6O3S/c1-16(2)26-19-17(15-22-26)13-18(14-21-19)20(27)23-9-11-25(12-10-23)30(28,29)24-7-5-3-4-6-8-24/h13-16H,3-12H2,1-2H3