3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

C26H17F5N4O2 — CID 66849454

IUPAC3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)OCc4ccccc4-c4cccnc4)n3c2)cc1
InChIInChI=1S/C26H17F5N4O2/c27-25(28,36-16-20-4-1-2-6-22(20)18-5-3-13-32-14-18)24-34-33-23-12-9-19(15-35(23)24)17-7-10-21(11-8-17)37-26(29,30)31/h1-15H,16H2
InChIKeyHITOEFJENJLTMB-UHFFFAOYSA-N
MW512.44 g/mol
LogP6.62
Rot. Bonds7

About 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66849454) has the molecular formula C26H17F5N4O2 and a molecular weight of 512.44 g/mol. Its IUPAC name is 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66849454
Molecular FormulaC26H17F5N4O2
Molecular Weight512.44 g/mol
Exact Mass512.13
IUPAC Name3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)OCc4ccccc4-c4cccnc4)n3c2)cc1
InChIInChI=1S/C26H17F5N4O2/c27-25(28,36-16-20-4-1-2-6-22(20)18-5-3-13-32-14-18)24-34-33-23-12-9-19(15-35(23)24)17-7-10-21(11-8-17)37-26(29,30)31/h1-15H,16H2
InChIKeyHITOEFJENJLTMB-UHFFFAOYSA-N
XLogP6.62
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.44
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 66849454) is 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)OCc4ccccc4-c4cccnc4)n3c2)cc1.
What is the InChIKey of 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HITOEFJENJLTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F5N4O2/c27-25(28,36-16-20-4-1-2-6-22(20)18-5-3-13-32-14-18)24-34-33-23-12-9-19(15-35(23)24)17-7-10-21(11-8-17)37-26(29,30)31/h1-15H,16H2.
What are the key properties of 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 512.44 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-[(2-pyridin-3-ylphenyl)methoxy]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66849454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).