8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

C26H18F3N3O — CID 155932729

IUPAC8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cn3c(-c4ccccc4)nnc23)cc1
InChIInChI=1S/C26H18F3N3O/c1-33-22-13-9-18(10-14-22)23-15-20(17-7-11-21(12-8-17)26(27,28)29)16-32-24(30-31-25(23)32)19-5-3-2-4-6-19/h2-16H,1H3
InChIKeyINQWZYCHCVGFFD-UHFFFAOYSA-N
MW445.44 g/mol
LogP6.76
Rot. Bonds4

About 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155932729) has the molecular formula C26H18F3N3O and a molecular weight of 445.44 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155932729
Molecular FormulaC26H18F3N3O
Molecular Weight445.44 g/mol
Exact Mass445.14
IUPAC Name8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cn3c(-c4ccccc4)nnc23)cc1
InChIInChI=1S/C26H18F3N3O/c1-33-22-13-9-18(10-14-22)23-15-20(17-7-11-21(12-8-17)26(27,28)29)16-32-24(30-31-25(23)32)19-5-3-2-4-6-19/h2-16H,1H3
InChIKeyINQWZYCHCVGFFD-UHFFFAOYSA-N
XLogP6.76
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
GS-458967
CID 58118983
3-(Cyclopropylmethyl)-7-(4-phenylcyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117971665
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
7-cyclohexyl-3-(1H-tetrazol-5-yl)-6-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyrazolo[1,5-a]pyrimidine
CID 15958010
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 155932729) is 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cn3c(-c4ccccc4)nnc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is INQWZYCHCVGFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O/c1-33-22-13-9-18(10-14-22)23-15-20(17-7-11-21(12-8-17)26(27,28)29)16-32-24(30-31-25(23)32)19-5-3-2-4-6-19/h2-16H,1H3.
What are the key properties of 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 445.44 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155932729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).