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

C18H15F3N4O — CID 53328454

IUPACN-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C2CC2)cc2ncnn12
InChIInChI=1S/C18H15F3N4O/c1-10(26)24-15-8-13(18(19,20)21)4-5-14(15)16-6-12(11-2-3-11)7-17-22-9-23-25(16)17/h4-9,11H,2-3H2,1H3,(H,24,26)
InChIKeyVRMDKOVHWRTHOS-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.25
Rot. Bonds3

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

N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 53328454) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID53328454
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C2CC2)cc2ncnn12
InChIInChI=1S/C18H15F3N4O/c1-10(26)24-15-8-13(18(19,20)21)4-5-14(15)16-6-12(11-2-3-11)7-17-22-9-23-25(16)17/h4-9,11H,2-3H2,1H3,(H,24,26)
InChIKeyVRMDKOVHWRTHOS-UHFFFAOYSA-N
XLogP4.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 141484570
N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 17389494
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide
CID 163885553
(3R,4S)-N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120921796
1-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 59231938
1-acetamido-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
CID 22752085
[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid
CID 90912923
N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
(2S,5R)-N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]-1,5-dimethylpyrrolidine-2-carboxamide
CID 87785992
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
CID 141484585

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 53328454) is N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)ccc1-c1cc(C2CC2)cc2ncnn12.
What is the InChIKey of N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VRMDKOVHWRTHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-10(26)24-15-8-13(18(19,20)21)4-5-14(15)16-6-12(11-2-3-11)7-17-22-9-23-25(16)17/h4-9,11H,2-3H2,1H3,(H,24,26).
What are the key properties of N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide?
N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 360.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53328454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).