[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone

C21H18FNO2S — CID 7417914

About [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone

[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 7417914) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

• Compound Name: [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
• PubChem CID: 7417914
• Molecular Formula: C21H18FNO2S
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.10
• IUPAC Name: [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
• SMILES: COc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccc(F)cc2)c1
• InChI: InChI=1S/C21H18FNO2S/c1-25-17-4-2-3-15(13-17)21(24)23-11-9-19-18(10-12-26-19)20(23)14-5-7-16(22)8-6-14/h2-8,10,12-13,20H,9,11H2,1H3/t20-/m1/s1
• InChIKey: IVPHABUQOWRIJZ-HXUWFJFHSA-N
• XLogP: 4.68
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?

The IUPAC name of [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone (CID 7417914) is [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone.

What is the SMILES notation for [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?

The canonical SMILES for [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccc(F)cc2)c1.

What is the InChIKey of [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?

The InChIKey is IVPHABUQOWRIJZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-25-17-4-2-3-15(13-17)21(24)23-11-9-19-18(10-12-26-19)20(23)14-5-7-16(22)8-6-14/h2-8,10,12-13,20H,9,11H2,1H3/t20-/m1/s1.

What are the key properties of [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?

[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 367.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 7417914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).