(7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

C24H23NO5S — CID 95060788

About (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

(7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 95060788) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 95060788
• Molecular Formula: C24H23NO5S
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.13
• IUPAC Name: (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
• SMILES: CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1
• InChI: InChI=1S/C24H23NO5S/c1-3-12-30-21-15(10-7-11-17(21)29-2)16-13-18(26)25-20-19(14-8-5-4-6-9-14)23(24(27)28)31-22(16)20/h4-11,16H,3,12-13H2,1-2H3,(H,25,26)(H,27,28)/t16-/m0/s1
• InChIKey: FRIHPRNNCQYFCY-INIZCTEOSA-N
• XLogP: 5.38
• TPSA: 84.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?

The IUPAC name of (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (CID 95060788) is (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

What is the SMILES notation for (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1.

What is the InChIKey of (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?

The InChIKey is FRIHPRNNCQYFCY-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-3-12-30-21-15(10-7-11-17(21)29-2)16-13-18(26)25-20-19(14-8-5-4-6-9-14)23(24(27)28)31-22(16)20/h4-11,16H,3,12-13H2,1-2H3,(H,25,26)(H,27,28)/t16-/m0/s1.

What are the key properties of (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid?

(7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 437.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-(3-methoxy-2-propoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 95060788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).