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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN=C3C(=C2)C=NN3C(C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN=C3C(=C2)C=NN3C(C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H29N5O3S/c1-16(2)28-22-18(15-25-28)12-19(14-24-22)23(29)26-20-9-8-17(3)21(13-20)32(30,31)27-10-6-4-5-7-11-27/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,26,29)