(4-methylsulfonyl-1,4-diazepan-1-yl)-(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)methanone Openeye Name: (1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone Traditional Name: (1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O3S/c1-16(2)27-21-19(15-23-27)18(14-20(24-21)17-8-5-4-6-9-17)22(28)25-10-7-11-26(13-12-25)31(3,29)30/h4-6,8-9,14-16H,7,10-13H2,1-3H3