3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole

C23H14F5N5O2 — CID 50905971

IUPAC3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2ccc3nnc(C(F)(F)OCc4cc(-c5ccccc5)on4)n3c2)cn1
InChIInChI=1S/C23H14F5N5O2/c24-22(25,26)19-8-6-15(11-29-19)16-7-9-20-30-31-21(33(20)12-16)23(27,28)34-13-17-10-18(35-32-17)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyNGJBFWCDPIKRSC-UHFFFAOYSA-N
MW487.39 g/mol
LogP5.73
Rot. Bonds6

About 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole

3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole (PubChem CID 50905971) has the molecular formula C23H14F5N5O2 and a molecular weight of 487.39 g/mol. Its IUPAC name is 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole
PubChem CID50905971
Molecular FormulaC23H14F5N5O2
Molecular Weight487.39 g/mol
Exact Mass487.11
IUPAC Name3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2ccc3nnc(C(F)(F)OCc4cc(-c5ccccc5)on4)n3c2)cn1
InChIInChI=1S/C23H14F5N5O2/c24-22(25,26)19-8-6-15(11-29-19)16-7-9-20-30-31-21(33(20)12-16)23(27,28)34-13-17-10-18(35-32-17)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyNGJBFWCDPIKRSC-UHFFFAOYSA-N
XLogP5.73
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole 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 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole (CID 50905971) is 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole is FC(F)(F)c1ccc(-c2ccc3nnc(C(F)(F)OCc4cc(-c5ccccc5)on4)n3c2)cn1.
What is the InChIKey of 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is NGJBFWCDPIKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5N5O2/c24-22(25,26)19-8-6-15(11-29-19)16-7-9-20-30-31-21(33(20)12-16)23(27,28)34-13-17-10-18(35-32-17)14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole?
3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 487.39 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[difluoro-[6-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 50905971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).