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

C21H19FN4O2 — CID 158166728

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

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158166728) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 158166728
• Molecular Formula: C21H19FN4O2
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.15
• IUPAC Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1ccc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)cn1
• InChI: InChI=1S/C21H19FN4O2/c1-27-19-5-3-4-18(22)17(19)10-8-15-7-9-16(21-25-24-13-26(15)21)14-6-11-20(28-2)23-12-14/h3-7,9,11-13H,8,10H2,1-2H3
• InChIKey: FWXXTAGIDKYWPN-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 61.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 158166728) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

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

The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)cn1.

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

The InChIKey is FWXXTAGIDKYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-27-19-5-3-4-18(22)17(19)10-8-15-7-9-16(21-25-24-13-26(15)21)14-6-11-20(28-2)23-12-14/h3-7,9,11-13H,8,10H2,1-2H3.

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

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 378.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158166728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).