N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

C24H19F3N4O — CID 176939094

IUPACN-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)21-13-19(7-8-20(21)17-5-6-17)30-23(32)11-15-1-3-16(4-2-15)18-9-10-31-22(12-18)28-14-29-31/h1-4,7-10,12-14,17H,5-6,11H2,(H,30,32)
InChIKeyCAENGNWAWSUCLT-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.47
Rot. Bonds5

About N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (PubChem CID 176939094) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
PubChem CID176939094
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)21-13-19(7-8-20(21)17-5-6-17)30-23(32)11-15-1-3-16(4-2-15)18-9-10-31-22(12-18)28-14-29-31/h1-4,7-10,12-14,17H,5-6,11H2,(H,30,32)
InChIKeyCAENGNWAWSUCLT-UHFFFAOYSA-N
XLogP5.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939050
N-(4-tert-butylphenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939227
N-[4-(2-oxoethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939143
N-[4-chloro-3-(trifluoromethoxy)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939269
N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939067
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939083
N-(3,4-dichlorophenyl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide;N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
CID 176939309
propan-2-yl 4-[[2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetyl]amino]benzoate
CID 176939177
2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 176939255
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
CID 176939197
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 7920389
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423239

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The IUPAC name of N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (CID 176939094) is N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The canonical SMILES for N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is O=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)Nc1ccc(C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The InChIKey is CAENGNWAWSUCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c25-24(26,27)21-13-19(7-8-20(21)17-5-6-17)30-23(32)11-15-1-3-16(4-2-15)18-9-10-31-22(12-18)28-14-29-31/h1-4,7-10,12-14,17H,5-6,11H2,(H,30,32).
What are the key properties of N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide has a molecular weight of 436.44 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is sourced from PubChem (CID 176939094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).