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

C19H19F3N4O6 — CID 68790565

IUPAC2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nn(CC(O)CO)c(=O)n3c2)c(OC(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O6/c1-31-14-4-2-11(15(6-14)32-19(20,21)22)7-23-17(29)12-3-5-16-24-26(9-13(28)10-27)18(30)25(16)8-12/h2-6,8,13,27-28H,7,9-10H2,1H3,(H,23,29)
InChIKeyIKWXYVPKUVQAEG-UHFFFAOYSA-N
MW456.38 g/mol
LogP0.69
Rot. Bonds8

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

2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 68790565) has the molecular formula C19H19F3N4O6 and a molecular weight of 456.38 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID68790565
Molecular FormulaC19H19F3N4O6
Molecular Weight456.38 g/mol
Exact Mass456.13
IUPAC Name2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nn(CC(O)CO)c(=O)n3c2)c(OC(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O6/c1-31-14-4-2-11(15(6-14)32-19(20,21)22)7-23-17(29)12-3-5-16-24-26(9-13(28)10-27)18(30)25(16)8-12/h2-6,8,13,27-28H,7,9-10H2,1H3,(H,23,29)
InChIKeyIKWXYVPKUVQAEG-UHFFFAOYSA-N
XLogP0.69
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-hydroxyethyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 68787396
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-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
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
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-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 68790565) is 2-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc(CNC(=O)c2ccc3nn(CC(O)CO)c(=O)n3c2)c(OC(F)(F)F)c1.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is IKWXYVPKUVQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O6/c1-31-14-4-2-11(15(6-14)32-19(20,21)22)7-23-17(29)12-3-5-16-24-26(9-13(28)10-27)18(30)25(16)8-12/h2-6,8,13,27-28H,7,9-10H2,1H3,(H,23,29).
What are the key properties of 2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 456.38 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 68790565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).