N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide

C24H21F3N4OS — CID 20908721

About N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide

N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 20908721) has the molecular formula C24H21F3N4OS and a molecular weight of 470.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
• PubChem CID: 20908721
• Molecular Formula: C24H21F3N4OS
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.14
• IUPAC Name: N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
• SMILES: CCc1ccccc1NC(=O)Cn1c(SCc2cccc(C(F)(F)F)c2)nc2cccnc21
• InChI: InChI=1S/C24H21F3N4OS/c1-2-17-8-3-4-10-19(17)29-21(32)14-31-22-20(11-6-12-28-22)30-23(31)33-15-16-7-5-9-18(13-16)24(25,26)27/h3-13H,2,14-15H2,1H3,(H,29,32)
• InChIKey: SAPNDHGBZWDUGF-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?

The IUPAC name of N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide (CID 20908721) is N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide.

What is the SMILES notation for N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?

The canonical SMILES for N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide is CCc1ccccc1NC(=O)Cn1c(SCc2cccc(C(F)(F)F)c2)nc2cccnc21.

What is the InChIKey of N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?

The InChIKey is SAPNDHGBZWDUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4OS/c1-2-17-8-3-4-10-19(17)29-21(32)14-31-22-20(11-6-12-28-22)30-23(31)33-15-16-7-5-9-18(13-16)24(25,26)27/h3-13H,2,14-15H2,1H3,(H,29,32).

What are the key properties of N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?

N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 470.52 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 20908721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).