5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide

C21H14F4N4O — CID 112834460

IUPAC5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCc1nnc2ccccn12)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F4N4O/c22-15-7-8-16(13-4-3-5-14(10-13)21(23,24)25)17(11-15)20(30)26-12-19-28-27-18-6-1-2-9-29(18)19/h1-11H,12H2,(H,26,30)
InChIKeyZBOYYJWSXPGHJC-UHFFFAOYSA-N
MW414.36 g/mol
LogP4.48
Rot. Bonds4

About 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide

5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 112834460) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID112834460
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC Name5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCc1nnc2ccccn12)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F4N4O/c22-15-7-8-16(13-4-3-5-14(10-13)21(23,24)25)17(11-15)20(30)26-12-19-28-27-18-6-1-2-9-29(18)19/h1-11H,12H2,(H,26,30)
InChIKeyZBOYYJWSXPGHJC-UHFFFAOYSA-N
XLogP4.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
2-bromo-5-fluoro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18228112
5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 119429718
N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119504852
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518
6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 115497637
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 120943802
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 166180357
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
1-(2-fluorophenyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 46531688

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide (CID 112834460) is 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide is O=C(NCc1nnc2ccccn12)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZBOYYJWSXPGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c22-15-7-8-16(13-4-3-5-14(10-13)21(23,24)25)17(11-15)20(30)26-12-19-28-27-18-6-1-2-9-29(18)19/h1-11H,12H2,(H,26,30).
What are the key properties of 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide?
5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 414.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 112834460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).