5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C24H24FN3O — CID 157194482

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157194482) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 157194482
• Molecular Formula: C24H24FN3O
• Molecular Weight: 389.47 g/mol
• Exact Mass: 389.19
• IUPAC Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1cccc(F)c1CCc1ccc(-c2ccccc2C(C)C)c2nncn12
• InChI: InChI=1S/C24H24FN3O/c1-16(2)18-7-4-5-8-19(18)20-13-11-17(28-15-26-27-24(20)28)12-14-21-22(25)9-6-10-23(21)29-3/h4-11,13,15-16H,12,14H2,1-3H3
• InChIKey: AQBWFJJLQYRSPI-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 39.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.47
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 157194482) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2ccccc2C(C)C)c2nncn12.

What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is AQBWFJJLQYRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-16(2)18-7-4-5-8-19(18)20-13-11-17(28-15-26-27-24(20)28)12-14-21-22(25)9-6-10-23(21)29-3/h4-11,13,15-16H,12,14H2,1-3H3.

What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 389.47 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157194482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).