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

C22H24FN5O — CID 157104757

IUPAC5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnn(C(C)C)c2C)c2nncn12
InChIInChI=1S/C22H24FN5O/c1-14(2)28-15(3)19(12-25-28)17-10-8-16(27-13-24-26-22(17)27)9-11-18-20(23)6-5-7-21(18)29-4/h5-8,10,12-14H,9,11H2,1-4H3
InChIKeyAGEDPIUULPWCDR-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.42
Rot. Bonds6

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

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157104757) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157104757
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnn(C(C)C)c2C)c2nncn12
InChIInChI=1S/C22H24FN5O/c1-14(2)28-15(3)19(12-25-28)17-10-8-16(27-13-24-26-22(17)27)9-11-18-20(23)6-5-7-21(18)29-4/h5-8,10,12-14H,9,11H2,1-4H3
InChIKeyAGEDPIUULPWCDR-UHFFFAOYSA-N
XLogP4.42
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 157104757) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-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-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cnn(C(C)C)c2C)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AGEDPIUULPWCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-14(2)28-15(3)19(12-25-28)17-10-8-16(27-13-24-26-22(17)27)9-11-18-20(23)6-5-7-21(18)29-4/h5-8,10,12-14H,9,11H2,1-4H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 393.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157104757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).