4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide

C22H17F4N5O2 — CID 60537095

IUPAC4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(NCCn2nc3ccccn3c2=O)c(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C22H17F4N5O2/c23-15-6-4-14(5-7-15)20(32)28-16-8-9-18(17(13-16)22(24,25)26)27-10-12-31-21(33)30-11-2-1-3-19(30)29-31/h1-9,11,13,27H,10,12H2,(H,28,32)
InChIKeyWCNRYVYYYGIZED-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.02
Rot. Bonds6

About 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 60537095) has the molecular formula C22H17F4N5O2 and a molecular weight of 459.40 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID60537095
Molecular FormulaC22H17F4N5O2
Molecular Weight459.40 g/mol
Exact Mass459.13
IUPAC Name4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(NCCn2nc3ccccn3c2=O)c(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C22H17F4N5O2/c23-15-6-4-14(5-7-15)20(32)28-16-8-9-18(17(13-16)22(24,25)26)27-10-12-31-21(33)30-11-2-1-3-19(30)29-31/h1-9,11,13,27H,10,12H2,(H,28,32)
InChIKeyWCNRYVYYYGIZED-UHFFFAOYSA-N
XLogP4.02
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide 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

4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78885374
methyl 4-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzoate
CID 42955994
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide
CID 51094949
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
CID 47076648
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55764325
3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide
CID 75420349
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 52598903
N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 136572532

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide (CID 60537095) is 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(NCCn2nc3ccccn3c2=O)c(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WCNRYVYYYGIZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O2/c23-15-6-4-14(5-7-15)20(32)28-16-8-9-18(17(13-16)22(24,25)26)27-10-12-31-21(33)30-11-2-1-3-19(30)29-31/h1-9,11,13,27H,10,12H2,(H,28,32).
What are the key properties of 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 459.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 60537095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).