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

C21H19FN4O — CID 157105764

IUPAC5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cccnc2C)c2nncn12
InChIInChI=1S/C21H19FN4O/c1-14-16(5-4-12-23-14)17-10-8-15(26-13-24-25-21(17)26)9-11-18-19(22)6-3-7-20(18)27-2/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyXTAWYLMYUYLJCB-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.03
Rot. Bonds5

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

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157105764) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157105764
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cccnc2C)c2nncn12
InChIInChI=1S/C21H19FN4O/c1-14-16(5-4-12-23-14)17-10-8-15(26-13-24-25-21(17)26)9-11-18-19(22)6-3-7-20(18)27-2/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyXTAWYLMYUYLJCB-UHFFFAOYSA-N
XLogP4.03
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 157105764) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cccnc2C)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XTAWYLMYUYLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-16(5-4-12-23-14)17-10-8-15(26-13-24-25-21(17)26)9-11-18-19(22)6-3-7-20(18)27-2/h3-8,10,12-13H,9,11H2,1-2H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[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-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157105764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).