(7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

C20H15NO3S — CID 26414172

About (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

(7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 26414172) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 26414172
• Molecular Formula: C20H15NO3S
• Molecular Weight: 349.41 g/mol
• Exact Mass: 349.08
• IUPAC Name: (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
• SMILES: O=C1C[C@H](c2ccccc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1
• InChI: InChI=1S/C20H15NO3S/c22-15-11-14(12-7-3-1-4-8-12)18-17(21-15)16(19(25-18)20(23)24)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,21,22)(H,23,24)/t14-/m1/s1
• InChIKey: LMCATMMZRMMYFV-CQSZACIVSA-N
• XLogP: 4.59
• TPSA: 66.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.41
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid (CID 26414172) is (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid.

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

The canonical SMILES for (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is O=C1C[C@H](c2ccccc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1.

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

The InChIKey is LMCATMMZRMMYFV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H15NO3S/c22-15-11-14(12-7-3-1-4-8-12)18-17(21-15)16(19(25-18)20(23)24)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,21,22)(H,23,24)/t14-/m1/s1.

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

(7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-oxo-3,7-diphenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 26414172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).