5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

C21H19FN4O — CID 159136166

About 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159136166) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 159136166
• Molecular Formula: C21H19FN4O
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.15
• IUPAC Name: 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1ccc(C)c(F)c1CCc1ccc(-c2ccncc2)c2nncn12
• InChI: InChI=1S/C21H19FN4O/c1-14-3-8-19(27-2)18(20(14)22)7-5-16-4-6-17(15-9-11-23-12-10-15)21-25-24-13-26(16)21/h3-4,6,8-13H,5,7H2,1-2H3
• InChIKey: AZIVTYXBKXIPMY-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 52.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 159136166) is 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(C)c(F)c1CCc1ccc(-c2ccncc2)c2nncn12.

What is the InChIKey of 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is AZIVTYXBKXIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-3-8-19(27-2)18(20(14)22)7-5-16-4-6-17(15-9-11-23-12-10-15)21-25-24-13-26(16)21/h3-4,6,8-13H,5,7H2,1-2H3.

What are the key properties of 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?

5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 362.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159136166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).