N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methyl-6-oxidanylidene-1-propan-2-yl-pyrazolo[3,4-b]pyridin-7-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methyl-6-oxidanylidene-1-propan-2-yl-pyrazolo[3,4-b]pyridin-7-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-isopropyl-4-methyl-6-oxo-pyrazolo[3,4-b]pyridin-7-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-methyl-6-oxo-1-propan-2-yl-7-pyrazolo[3,4-b]pyridinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methyl-6-oxo-1-propan-2-ylpyrazolo[3,4-b]pyridin-7-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1-isopropyl-6-keto-4-methyl-pyrazolo[3,4-b]pyridin-7-yl)acetamide Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C=C(C3=C2N(N=C3)C(C)C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C=C(C3=C2N(N=C3)C(C)C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N5O4S/c1-17(2)30-25-21(15-26-30)19(4)13-24(32)29(25)16-23(31)27-20-10-9-18(3)22(14-20)35(33,34)28-11-7-5-6-8-12-28/h9-10,13-15,17H,5-8,11-12,16H2,1-4H3,(H,27,31)