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

C21H18ClFN4O — CID 147816107

IUPAC8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2c(Cl)ccnc2C)c2nncn12
InChIInChI=1S/C21H18ClFN4O/c1-13-20(17(22)10-11-24-13)16-9-7-14(27-12-25-26-21(16)27)6-8-15-18(23)4-3-5-19(15)28-2/h3-5,7,9-12H,6,8H2,1-2H3
InChIKeyHOIFFFUVJSYOCR-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.69
Rot. Bonds5

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

8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 147816107) has the molecular formula C21H18ClFN4O and a molecular weight of 396.85 g/mol. Its IUPAC name is 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID147816107
Molecular FormulaC21H18ClFN4O
Molecular Weight396.85 g/mol
Exact Mass396.12
IUPAC Name8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2c(Cl)ccnc2C)c2nncn12
InChIInChI=1S/C21H18ClFN4O/c1-13-20(17(22)10-11-24-13)16-9-7-14(27-12-25-26-21(16)27)6-8-15-18(23)4-3-5-19(15)28-2/h3-5,7,9-12H,6,8H2,1-2H3
InChIKeyHOIFFFUVJSYOCR-UHFFFAOYSA-N
XLogP4.69
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 147816107) is 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2c(Cl)ccnc2C)c2nncn12.
What is the InChIKey of 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HOIFFFUVJSYOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O/c1-13-20(17(22)10-11-24-13)16-9-7-14(27-12-25-26-21(16)27)6-8-15-18(23)4-3-5-19(15)28-2/h3-5,7,9-12H,6,8H2,1-2H3.
What are the key properties of 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 396.85 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 147816107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).