5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid

C24H17F4N3O6 — CID 90441746

About 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid

5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid (PubChem CID 90441746) has the molecular formula C24H17F4N3O6 and a molecular weight of 519.41 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid
• PubChem CID: 90441746
• Molecular Formula: C24H17F4N3O6
• Molecular Weight: 519.41 g/mol
• Exact Mass: 519.11
• IUPAC Name: 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(OCC(F)(F)F)c(-c3cnc(OC)c(C(=O)O)c3)cc12
• InChI: InChI=1S/C24H17F4N3O6/c1-29-19(32)17-15-8-14(12-7-16(23(33)34)20(35-2)30-9-12)21(36-10-24(26,27)28)31-22(15)37-18(17)11-3-5-13(25)6-4-11/h3-9H,10H2,1-2H3,(H,29,32)(H,33,34)
• InChIKey: AYWVAOWLXWZFDT-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 123.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.41
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid?

The IUPAC name of 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid (CID 90441746) is 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid.

What is the SMILES notation for 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid?

The canonical SMILES for 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(OCC(F)(F)F)c(-c3cnc(OC)c(C(=O)O)c3)cc12.

What is the InChIKey of 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid?

The InChIKey is AYWVAOWLXWZFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O6/c1-29-19(32)17-15-8-14(12-7-16(23(33)34)20(35-2)30-9-12)21(36-10-24(26,27)28)31-22(15)37-18(17)11-3-5-13(25)6-4-11/h3-9H,10H2,1-2H3,(H,29,32)(H,33,34).

What are the key properties of 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid?

5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid has a molecular weight of 519.41 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridin-5-yl]-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 90441746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).