2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C17H16F6N4O2 — CID 129358054

IUPAC2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2
InChIInChI=1S/C17H16F6N4O2/c18-16(19,20)11-5-6-27-13(8-11)25-26-14(27)9-24-15(28)7-10-1-3-12(4-2-10)29-17(21,22)23/h1-4,11H,5-9H2,(H,24,28)/t11-/m0/s1
InChIKeyZZVJOQLYXNVGOB-NSHDSACASA-N
MW422.33 g/mol
LogP3.16
Rot. Bonds5

About 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 129358054) has the molecular formula C17H16F6N4O2 and a molecular weight of 422.33 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID129358054
Molecular FormulaC17H16F6N4O2
Molecular Weight422.33 g/mol
Exact Mass422.12
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2
InChIInChI=1S/C17H16F6N4O2/c18-16(19,20)11-5-6-27-13(8-11)25-26-14(27)9-24-15(28)7-10-1-3-12(4-2-10)29-17(21,22)23/h1-4,11H,5-9H2,(H,24,28)/t11-/m0/s1
InChIKeyZZVJOQLYXNVGOB-NSHDSACASA-N
XLogP3.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide 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

2-thiophen-3-yl-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129356841
2-propyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pentanamide
CID 136560413
1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 129357847
(2S)-2-phenyl-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]butanamide
CID 129357478
2-oxo-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 121022039
2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 129357905
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 52950335
5-oxo-N-[[7-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 45252234
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 87045977
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
N-[2-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)ethyl]-2-phenylacetamide
CID 46524812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 129358054) is 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1nnc2n1CC[C@H](C(F)(F)F)C2.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is ZZVJOQLYXNVGOB-NSHDSACASA-N. The full InChI is InChI=1S/C17H16F6N4O2/c18-16(19,20)11-5-6-27-13(8-11)25-26-14(27)9-24-15(28)7-10-1-3-12(4-2-10)29-17(21,22)23/h1-4,11H,5-9H2,(H,24,28)/t11-/m0/s1.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 422.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 129358054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).