8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C20H14ClF3N4OS — CID 60585923

IUPAC8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nnc(SCc3ccc(OCc4ccccn4)cc3)n2c1
InChIInChI=1S/C20H14ClF3N4OS/c21-17-9-14(20(22,23)24)10-28-18(17)26-27-19(28)30-12-13-4-6-16(7-5-13)29-11-15-3-1-2-8-25-15/h1-10H,11-12H2
InChIKeyGFQAUWCXVGNETH-UHFFFAOYSA-N
MW450.87 g/mol
LogP5.67
Rot. Bonds6

About 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 60585923) has the molecular formula C20H14ClF3N4OS and a molecular weight of 450.87 g/mol. Its IUPAC name is 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID60585923
Molecular FormulaC20H14ClF3N4OS
Molecular Weight450.87 g/mol
Exact Mass450.05
IUPAC Name8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nnc(SCc3ccc(OCc4ccccn4)cc3)n2c1
InChIInChI=1S/C20H14ClF3N4OS/c21-17-9-14(20(22,23)24)10-28-18(17)26-27-19(28)30-12-13-4-6-16(7-5-13)29-11-15-3-1-2-8-25-15/h1-10H,11-12H2
InChIKeyGFQAUWCXVGNETH-UHFFFAOYSA-N
XLogP5.67
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.87
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[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 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 60585923) is 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1cc(Cl)c2nnc(SCc3ccc(OCc4ccccn4)cc3)n2c1.
What is the InChIKey of 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GFQAUWCXVGNETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4OS/c21-17-9-14(20(22,23)24)10-28-18(17)26-27-19(28)30-12-13-4-6-16(7-5-13)29-11-15-3-1-2-8-25-15/h1-10H,11-12H2.
What are the key properties of 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 450.87 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 60585923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).