3-(2,5-dimethylpyrrol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazino]propyl]thieno[2,3-b]pyridine-2-carboxamide Formula: C27H30FN5OS MolecularWeight: 491.623403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC3=C2C=CC=N3)C(=O)NCCCN4CCN(CC4)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC3=C2C=CC=N3)C(=O)NCCCN4CCN(CC4)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C27H30FN5OS/c1-19-6-7-20(2)33(19)24-23-5-3-12-30-27(23)35-25(24)26(34)29-13-4-14-31-15-17-32(18-16-31)22-10-8-21(28)9-11-22/h3,5-12H,4,13-18H2,1-2H3,(H,29,34)