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

C18H17F3N4O4 — CID 68788922

IUPAC2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCn1nc2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cn2c1=O
InChIInChI=1S/C18H17F3N4O4/c1-28-9-8-25-17(27)24-11-13(6-7-15(24)23-25)16(26)22-10-12-4-2-3-5-14(12)29-18(19,20)21/h2-7,11H,8-10H2,1H3,(H,22,26)
InChIKeyQJLHBBZTUVOAIM-UHFFFAOYSA-N
MW410.35 g/mol
LogP1.97
Rot. Bonds7

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

2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 68788922) has the molecular formula C18H17F3N4O4 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID68788922
Molecular FormulaC18H17F3N4O4
Molecular Weight410.35 g/mol
Exact Mass410.12
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCn1nc2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cn2c1=O
InChIInChI=1S/C18H17F3N4O4/c1-28-9-8-25-17(27)24-11-13(6-7-15(24)23-25)16(26)22-10-12-4-2-3-5-14(12)29-18(19,20)21/h2-7,11H,8-10H2,1H3,(H,22,26)
InChIKeyQJLHBBZTUVOAIM-UHFFFAOYSA-N
XLogP1.97
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68787396
N-[[4-amino-2-(trifluoromethoxy)phenyl]methyl]-2-(2-cyanoethyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 89044432
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
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
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-aminoethyl)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 70865536
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
2-(1-cyanoethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68785319
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46995075
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 68788922) is 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCn1nc2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cn2c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is QJLHBBZTUVOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O4/c1-28-9-8-25-17(27)24-11-13(6-7-15(24)23-25)16(26)22-10-12-4-2-3-5-14(12)29-18(19,20)21/h2-7,11H,8-10H2,1H3,(H,22,26).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 410.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 68788922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).