7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid

C24H18FNO4S — CID 58172947

About 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid

7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 58172947) has the molecular formula C24H18FNO4S and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 58172947
• Molecular Formula: C24H18FNO4S
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.09
• IUPAC Name: 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid
• SMILES: Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)O)sc34)cc2)c1
• InChI: InChI=1S/C24H18FNO4S/c1-14-2-7-19(25)16(10-14)12-17(27)11-15-3-5-18(6-4-15)30-21-8-9-26-20-13-22(24(28)29)31-23(20)21/h2-10,13H,11-12H2,1H3,(H,28,29)
• InChIKey: QFSRISJHUSQQJS-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 76.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?

The IUPAC name of 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid (CID 58172947) is 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid.

What is the SMILES notation for 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)O)sc34)cc2)c1.

What is the InChIKey of 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?

The InChIKey is QFSRISJHUSQQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4S/c1-14-2-7-19(25)16(10-14)12-17(27)11-15-3-5-18(6-4-15)30-21-8-9-26-20-13-22(24(28)29)31-23(20)21/h2-10,13H,11-12H2,1H3,(H,28,29).

What are the key properties of 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?

7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 435.48 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 58172947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).