2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H17F3N4O5 — CID 68787396

IUPAC2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nn(CCO)c(=O)n3c2)c(OC(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O5/c1-29-13-4-2-11(14(8-13)30-18(19,20)21)9-22-16(27)12-3-5-15-23-25(6-7-26)17(28)24(15)10-12/h2-5,8,10,26H,6-7,9H2,1H3,(H,22,27)
InChIKeyCFHUWCGNPYMJLZ-UHFFFAOYSA-N
MW426.35 g/mol
LogP1.33
Rot. Bonds7

About 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 68787396) has the molecular formula C18H17F3N4O5 and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID68787396
Molecular FormulaC18H17F3N4O5
Molecular Weight426.35 g/mol
Exact Mass426.12
IUPAC Name2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nn(CCO)c(=O)n3c2)c(OC(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O5/c1-29-13-4-2-11(14(8-13)30-18(19,20)21)9-22-16(27)12-3-5-15-23-25(6-7-26)17(28)24(15)10-12/h2-5,8,10,26H,6-7,9H2,1H3,(H,22,27)
InChIKeyCFHUWCGNPYMJLZ-UHFFFAOYSA-N
XLogP1.33
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-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

2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68790565
2-(1-cyanoethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68785319
2-(2-hydroxyethyl)-N-[[4-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 70865517
2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68788922
2-(2-aminoethyl)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 70865536
N-[[4-amino-2-(trifluoromethoxy)phenyl]methyl]-2-(2-cyanoethyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 89044432
N-[[4-amino-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 89044434
3-oxo-2-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68789745
N-[[4-methylsulfonyl-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68786143
2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128338
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 68787396) is 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc(CNC(=O)c2ccc3nn(CCO)c(=O)n3c2)c(OC(F)(F)F)c1.
What is the InChIKey of 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CFHUWCGNPYMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O5/c1-29-13-4-2-11(14(8-13)30-18(19,20)21)9-22-16(27)12-3-5-15-23-25(6-7-26)17(28)24(15)10-12/h2-5,8,10,26H,6-7,9H2,1H3,(H,22,27).
What are the key properties of 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 426.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 68787396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).