N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide

C13H8ClF3N4OS — CID 7708291

IUPACN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1cccs1
InChIInChI=1S/C13H8ClF3N4OS/c14-7-4-8(13(15,16)17)11-20-19-10(21(11)6-7)5-18-12(22)9-2-1-3-23-9/h1-4,6H,5H2,(H,18,22)
InChIKeyQYAJUNJBYVWSRE-UHFFFAOYSA-N
MW360.75 g/mol
LogP3.39
Rot. Bonds3

About N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide

N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 7708291) has the molecular formula C13H8ClF3N4OS and a molecular weight of 360.75 g/mol. Its IUPAC name is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID7708291
Molecular FormulaC13H8ClF3N4OS
Molecular Weight360.75 g/mol
Exact Mass360.01
IUPAC NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1cccs1
InChIInChI=1S/C13H8ClF3N4OS/c14-7-4-8(13(15,16)17)11-20-19-10(21(11)6-7)5-18-12(22)9-2-1-3-23-9/h1-4,6H,5H2,(H,18,22)
InChIKeyQYAJUNJBYVWSRE-UHFFFAOYSA-N
XLogP3.39
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 25205097
Mark-IN-2
CID 89735655
3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7693466
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7694192
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 7708113
7-[chloro(difluoro)methyl]-N-(3-pyridinylmethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045803
US11149023, Example 52
CID 142564250
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[2-(2-chloro-6-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 169552570
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)thiophene-2-carboxamide
CID 7711096
3-Thienyl{4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazino}methanone
CID 53203686
N-((6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)nicotinamide
CID 7677140
5-Chloro-N-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]methyl}thiophene-2-carboxamide
CID 91893471

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (CID 7708291) is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1cccs1.
What is the InChIKey of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is QYAJUNJBYVWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4OS/c14-7-4-8(13(15,16)17)11-20-19-10(21(11)6-7)5-18-12(22)9-2-1-3-23-9/h1-4,6H,5H2,(H,18,22).
What are the key properties of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 360.75 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 7708291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).