(7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C22H18FNO2S — CID 94086268

About (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086268) has the molecular formula C22H18FNO2S and a molecular weight of 379.46 g/mol. Its IUPAC name is (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• PubChem CID: 94086268
• Molecular Formula: C22H18FNO2S
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.10
• IUPAC Name: (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• SMILES: C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21
• InChI: InChI=1S/C22H18FNO2S/c1-2-11-26-19-10-6-4-8-15(19)16-12-20(25)24-21-17(13-27-22(16)21)14-7-3-5-9-18(14)23/h2-10,13,16H,1,11-12H2,(H,24,25)/t16-/m1/s1
• InChIKey: CDUNITITQAMJAK-MRXNPFEDSA-N
• XLogP: 5.59
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The IUPAC name of (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086268) is (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

What is the SMILES notation for (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The canonical SMILES for (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21.

What is the InChIKey of (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The InChIKey is CDUNITITQAMJAK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H18FNO2S/c1-2-11-26-19-10-6-4-8-15(19)16-12-20(25)24-21-17(13-27-22(16)21)14-7-3-5-9-18(14)23/h2-10,13,16H,1,11-12H2,(H,24,25)/t16-/m1/s1.

What are the key properties of (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

(7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 379.46 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).