2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

C21H14F4N6O3 — CID 137408485

IUPAC2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(C(F)(F)F)cccn3n2)cc1F
InChIInChI=1S/C21H14F4N6O3/c22-14-9-11(5-6-15(14)34-19-12(17(26)33)3-1-7-27-19)10-16(32)28-20-29-18-13(21(23,24)25)4-2-8-31(18)30-20/h1-9H,10H2,(H2,26,33)(H,28,30,32)
InChIKeyKRIYEGIRGBWTEE-UHFFFAOYSA-N
MW474.37 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 137408485) has the molecular formula C21H14F4N6O3 and a molecular weight of 474.37 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID137408485
Molecular FormulaC21H14F4N6O3
Molecular Weight474.37 g/mol
Exact Mass474.11
IUPAC Name2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(C(F)(F)F)cccn3n2)cc1F
InChIInChI=1S/C21H14F4N6O3/c22-14-9-11(5-6-15(14)34-19-12(17(26)33)3-1-7-27-19)10-16(32)28-20-29-18-13(21(23,24)25)4-2-8-31(18)30-20/h1-9H,10H2,(H2,26,33)(H,28,30,32)
InChIKeyKRIYEGIRGBWTEE-UHFFFAOYSA-N
XLogP3.35
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 137408485) is 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(C(F)(F)F)cccn3n2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is KRIYEGIRGBWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N6O3/c22-14-9-11(5-6-15(14)34-19-12(17(26)33)3-1-7-27-19)10-16(32)28-20-29-18-13(21(23,24)25)4-2-8-31(18)30-20/h1-9H,10H2,(H2,26,33)(H,28,30,32).
What are the key properties of 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-oxo-2-[[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137408485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).