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

C22H20F2N4O — CID 158065540

IUPAC5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1ncccc1-c1ccc(CCc2c(F)cc(F)cc2OC)n2cnnc12
InChIInChI=1S/C22H20F2N4O/c1-3-20-16(5-4-10-25-20)17-8-6-15(28-13-26-27-22(17)28)7-9-18-19(24)11-14(23)12-21(18)29-2/h4-6,8,10-13H,3,7,9H2,1-2H3
InChIKeyFLEHJFFAWUNBAK-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.43
Rot. Bonds6

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

5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158065540) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158065540
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1ncccc1-c1ccc(CCc2c(F)cc(F)cc2OC)n2cnnc12
InChIInChI=1S/C22H20F2N4O/c1-3-20-16(5-4-10-25-20)17-8-6-15(28-13-26-27-22(17)28)7-9-18-19(24)11-14(23)12-21(18)29-2/h4-6,8,10-13H,3,7,9H2,1-2H3
InChIKeyFLEHJFFAWUNBAK-UHFFFAOYSA-N
XLogP4.43
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 158065540) is 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is CCc1ncccc1-c1ccc(CCc2c(F)cc(F)cc2OC)n2cnnc12.
What is the InChIKey of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FLEHJFFAWUNBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-3-20-16(5-4-10-25-20)17-8-6-15(28-13-26-27-22(17)28)7-9-18-19(24)11-14(23)12-21(18)29-2/h4-6,8,10-13H,3,7,9H2,1-2H3.
What are the key properties of 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 394.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]-8-(2-ethyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158065540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).