5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

C23H25FN6O — CID 160736724

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

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 160736724) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 160736724
• Molecular Formula: C23H25FN6O
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.21
• IUPAC Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1cccc(F)c1CCc1ccc(-c2cnn(C3CCNCC3)c2)c2nncn12
• InChI: InChI=1S/C23H25FN6O/c1-31-22-4-2-3-21(24)20(22)8-6-17-5-7-19(23-28-26-15-29(17)23)16-13-27-30(14-16)18-9-11-25-12-10-18/h2-5,7,13-15,18,25H,6,8-12H2,1H3
• InChIKey: RVAXRJBLOFBYOD-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 69.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 160736724) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

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

The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cnn(C3CCNCC3)c2)c2nncn12.

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

The InChIKey is RVAXRJBLOFBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-31-22-4-2-3-21(24)20(22)8-6-17-5-7-19(23-28-26-15-29(17)23)16-13-27-30(14-16)18-9-11-25-12-10-18/h2-5,7,13-15,18,25H,6,8-12H2,1H3.

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

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 420.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 160736724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).