(E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one

C110H104Cl4F8N8O6S6 — CID 165033367

About (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one

(E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one (PubChem CID 165033367) has the molecular formula C110H104Cl4F8N8O6S6 and a molecular weight of 2120.29 g/mol. Its IUPAC name is (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
• PubChem CID: 165033367
• Molecular Formula: C110H104Cl4F8N8O6S6
• Molecular Weight: 2120.29 g/mol
• Exact Mass: 2116.50
• IUPAC Name: (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1Cc2sccc2[C@@H](C2CCCCC2)C1.C=CC(=O)N1Cc2sccc2[C@H](C2CCCCC2)C1.Cc1ccccc1[C@@H]1CN(C(=O)/C=C/c2ccccn2)Cc2sc(Cl)cc21.Cc1ccccc1[C@H]1CN(C(=O)/C=C/c2ccccn2)Cc2sc(Cl)cc21.O=C(/C=C/C(F)(F)F)N1Cc2sc(Cl)cc2[C@@H](c2ccccc2F)C1.O=C(/C=C/C(F)(F)F)N1Cc2sc(Cl)cc2[C@H](c2ccccc2F)C1
• InChI: InChI=1S/2C22H19ClN2OS.2C17H12ClF4NOS.2C16H21NOS/c2*1-15-6-2-3-8-17(15)19-13-25(14-20-18(19)12-21(23)27-20)22(26)10-9-16-7-4-5-11-24-16;2*18-15-7-11-12(10-3-1-2-4-13(10)19)8-23(9-14(11)25-15)16(24)5-6-17(20,21)22;2*1-2-16(18)17-10-14(12-6-4-3-5-7-12)13-8-9-19-15(13)11-17/h2*2-12,19H,13-14H2,1H3;2*1-7,12H,8-9H2;2*2,8-9,12,14H,1,3-7,10-11H2/b2*10-9+;2*6-5+;;/t2*19-;2*12-;2*14-/m101010/s1
• InChIKey: MZVWGZGNWVNYDX-CQJXHPHASA-N
• XLogP: 28.73
• TPSA: 147.64 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.29
LogP ≤ 5	28.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one?

The IUPAC name of (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one (CID 165033367) is (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one.

What is the SMILES notation for (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one?

The canonical SMILES for (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one is C=CC(=O)N1Cc2sccc2[C@@H](C2CCCCC2)C1.C=CC(=O)N1Cc2sccc2[C@H](C2CCCCC2)C1.Cc1ccccc1[C@@H]1CN(C(=O)/C=C/c2ccccn2)Cc2sc(Cl)cc21.Cc1ccccc1[C@H]1CN(C(=O)/C=C/c2ccccn2)Cc2sc(Cl)cc21.O=C(/C=C/C(F)(F)F)N1Cc2sc(Cl)cc2[C@@H](c2ccccc2F)C1.O=C(/C=C/C(F)(F)F)N1Cc2sc(Cl)cc2[C@H](c2ccccc2F)C1.

What is the InChIKey of (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one?

The InChIKey is MZVWGZGNWVNYDX-CQJXHPHASA-N. The full InChI is InChI=1S/2C22H19ClN2OS.2C17H12ClF4NOS.2C16H21NOS/c2*1-15-6-2-3-8-17(15)19-13-25(14-20-18(19)12-21(23)27-20)22(26)10-9-16-7-4-5-11-24-16;2*18-15-7-11-12(10-3-1-2-4-13(10)19)8-23(9-14(11)25-15)16(24)5-6-17(20,21)22;2*1-2-16(18)17-10-14(12-6-4-3-5-7-12)13-8-9-19-15(13)11-17/h2*2-12,19H,13-14H2,1H3;2*1-7,12H,8-9H2;2*2,8-9,12,14H,1,3-7,10-11H2/b2*10-9+;2*6-5+;;/t2*19-;2*12-;2*14-/m101010/s1.

What are the key properties of (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one?

(E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one has a molecular weight of 2120.29 g/mol, XLogP of 28.73, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[(4S)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4,4,4-trifluorobut-2-en-1-one;(E)-1-[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;(E)-1-[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-pyridin-2-ylprop-2-en-1-one;1-[(4R)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one;1-[(4S)-4-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one is sourced from PubChem (CID 165033367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).