7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

C18H18FN3O2 — CID 169156279

IUPAC7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1c(-c2ccccc2F)ccn2c(C3CCOCC3)nnc12
InChIInChI=1S/C18H18FN3O2/c1-23-16-14(13-4-2-3-5-15(13)19)6-9-22-17(20-21-18(16)22)12-7-10-24-11-8-12/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyVYZAWACLAGBKDL-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.44
Rot. Bonds3

About 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 169156279) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID169156279
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1c(-c2ccccc2F)ccn2c(C3CCOCC3)nnc12
InChIInChI=1S/C18H18FN3O2/c1-23-16-14(13-4-2-3-5-15(13)19)6-9-22-17(20-21-18(16)22)12-7-10-24-11-8-12/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyVYZAWACLAGBKDL-UHFFFAOYSA-N
XLogP3.44
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 169156279) is 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1c(-c2ccccc2F)ccn2c(C3CCOCC3)nnc12.
What is the InChIKey of 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VYZAWACLAGBKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-23-16-14(13-4-2-3-5-15(13)19)6-9-22-17(20-21-18(16)22)12-7-10-24-11-8-12/h2-6,9,12H,7-8,10-11H2,1H3.
What are the key properties of 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 327.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 169156279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).