N-(2-fluoranyl-5-methylsulfonyl-phenyl)-1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(2-fluoranyl-5-methylsulfonyl-phenyl)-1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(2-fluoro-5-methylsulfonyl-phenyl)-1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(2-fluoro-5-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(2-fluoro-5-methylsulfonylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(2-fluoro-5-mesyl-phenyl)-1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H19FN4O3S2 MolecularWeight: 458.528963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)C)F

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)C)F

InChI

InChI=1S/C21H19FN4O3S2/c1-12(2)26-20-15(11-23-26)14(10-18(24-20)19-5-4-8-30-19)21(27)25-17-9-13(31(3,28)29)6-7-16(17)22/h4-12H,1-3H3,(H,25,27)