5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide

C22H20FN5O2 — CID 146719628

About 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide

5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide (PubChem CID 146719628) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide
• PubChem CID: 146719628
• Molecular Formula: C22H20FN5O2
• Molecular Weight: 405.43 g/mol
• Exact Mass: 405.16
• IUPAC Name: 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cncc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)c1
• InChI: InChI=1S/C22H20FN5O2/c1-24-22(29)15-10-14(11-25-12-15)17-8-6-16(28-13-26-27-21(17)28)7-9-18-19(23)4-3-5-20(18)30-2/h3-6,8,10-13H,7,9H2,1-2H3,(H,24,29)
• InChIKey: REQOVLHYSSBUBX-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.43
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

The IUPAC name of 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide (CID 146719628) is 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)c1.

What is the InChIKey of 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

The InChIKey is REQOVLHYSSBUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-24-22(29)15-10-14(11-25-12-15)17-8-6-16(28-13-26-27-21(17)28)7-9-18-19(23)4-3-5-20(18)30-2/h3-6,8,10-13H,7,9H2,1-2H3,(H,24,29).

What are the key properties of 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide?

5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 146719628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).