N-[4-(azepan-1-ylsulfonyl)phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H27N5O3S/c1-16(2)27-21-17(15-24-27)13-18(14-23-21)22(28)25-19-7-9-20(10-8-19)31(29,30)26-11-5-3-4-6-12-26/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,25,28)