3-azanyl-4-(4-cyano-3-fluoranyl-phenyl)-6-(4-oxidanylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-(4-cyano-3-fluoranyl-phenyl)-6-(4-oxidanylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-(4-cyano-3-fluoro-phenyl)-6-(4-hydroxy-1-piperidyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-(4-cyano-3-fluorophenyl)-6-(4-hydroxy-1-piperidinyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-(4-cyano-3-fluorophenyl)-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-(4-cyano-3-fluoro-phenyl)-6-(4-hydroxypiperidino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC3=C(C(=C2)C4=CC(=C(C=C4)C#N)F)C(=C(S3)C(=O)O)N

Isomeric SMILES

C1CN(CCC1O)C2=NC3=C(C(=C2)C4=CC(=C(C=C4)C#N)F)C(=C(S3)C(=O)O)N

InChI

InChI=1S/C20H17FN4O3S/c21-14-7-10(1-2-11(14)9-22)13-8-15(25-5-3-12(26)4-6-25)24-19-16(13)17(23)18(29-19)20(27)28/h1-2,7-8,12,26H,3-6,23H2,(H,27,28)