[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone

C40H32Cl4N4O2S2 — CID 164947290

About [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone

[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone (PubChem CID 164947290) has the molecular formula C40H32Cl4N4O2S2 and a molecular weight of 806.67 g/mol. Its IUPAC name is [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone
• PubChem CID: 164947290
• Molecular Formula: C40H32Cl4N4O2S2
• Molecular Weight: 806.67 g/mol
• Exact Mass: 804.07
• IUPAC Name: [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone
• SMILES: Cc1ccccc1[C@@H]1CN(C(=O)c2cccnc2Cl)Cc2sc(Cl)cc21.Cc1ccccc1[C@H]1CN(C(=O)c2cccnc2Cl)Cc2sc(Cl)cc21
• InChI: InChI=1S/2C20H16Cl2N2OS/c2*1-12-5-2-3-6-13(12)16-10-24(11-17-15(16)9-18(21)26-17)20(25)14-7-4-8-23-19(14)22/h2*2-9,16H,10-11H2,1H3/t2*16-/m10/s1
• InChIKey: ABEIPEKFYBFSGQ-RRHAQCGESA-N
• XLogP: 11.09
• TPSA: 66.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.67
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone?

The IUPAC name of [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone (CID 164947290) is [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone.

What is the SMILES notation for [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone?

The canonical SMILES for [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone is Cc1ccccc1[C@@H]1CN(C(=O)c2cccnc2Cl)Cc2sc(Cl)cc21.Cc1ccccc1[C@H]1CN(C(=O)c2cccnc2Cl)Cc2sc(Cl)cc21.

What is the InChIKey of [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone?

The InChIKey is ABEIPEKFYBFSGQ-RRHAQCGESA-N. The full InChI is InChI=1S/2C20H16Cl2N2OS/c2*1-12-5-2-3-6-13(12)16-10-24(11-17-15(16)9-18(21)26-17)20(25)14-7-4-8-23-19(14)22/h2*2-9,16H,10-11H2,1H3/t2*16-/m10/s1.

What are the key properties of [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone?

[(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone has a molecular weight of 806.67 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone;[(4S)-2-chloro-4-(2-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-(2-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 164947290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).