N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

C13H9F3N4OS — CID 53190351

IUPACN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1nc2c(NC(=O)c3ccc(C(F)(F)F)s3)cccn2n1
InChIInChI=1S/C13H9F3N4OS/c1-7-17-11-8(3-2-6-20(11)19-7)18-12(21)9-4-5-10(22-9)13(14,15)16/h2-6H,1H3,(H,18,21)
InChIKeyRTRFNSGFOJDGTI-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.37
Rot. Bonds2

About N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53190351) has the molecular formula C13H9F3N4OS and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53190351
Molecular FormulaC13H9F3N4OS
Molecular Weight326.30 g/mol
Exact Mass326.04
IUPAC NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1nc2c(NC(=O)c3ccc(C(F)(F)F)s3)cccn2n1
InChIInChI=1S/C13H9F3N4OS/c1-7-17-11-8(3-2-6-20(11)19-7)18-12(21)9-4-5-10(22-9)13(14,15)16/h2-6H,1H3,(H,18,21)
InChIKeyRTRFNSGFOJDGTI-UHFFFAOYSA-N
XLogP3.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
N-(pyridin-3-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17020757
(8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620157
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 25205097
4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 59603981
1-propan-2-yl-N-pyrimidin-5-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137634456
[(1R)-3,3-difluoro-2-[[4-[7-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carbonyl]amino]cyclohexyl]azanium
CID 91808701
5-(5-ethylthiophen-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000338
1-(propan-2-yl)-N-(pyridin-3-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 40103367
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)thiophene-2-carboxamide
CID 127036563
1-propan-2-yl-N-pyridin-3-yl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137651720
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylthiophene-2-carboxamide
CID 155555954

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53190351) is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is Cc1nc2c(NC(=O)c3ccc(C(F)(F)F)s3)cccn2n1.
What is the InChIKey of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is RTRFNSGFOJDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4OS/c1-7-17-11-8(3-2-6-20(11)19-7)18-12(21)9-4-5-10(22-9)13(14,15)16/h2-6H,1H3,(H,18,21).
What are the key properties of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 326.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53190351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).