2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine

C16H7F8N5 — CID 134457982

IUPAC2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)c1nc2ccc(C(F)(F)F)c(-c3cc(C(F)(F)F)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H7F8N5/c17-13(18)14-26-10-2-1-8(15(19,20)21)12(29(10)28-14)6-3-7-5-25-27-11(7)9(4-6)16(22,23)24/h1-5,13H,(H,25,27)
InChIKeyXULMXTJVIJVWCH-UHFFFAOYSA-N
MW421.25 g/mol
LogP5.25
Rot. Bonds2

About 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine

2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457982) has the molecular formula C16H7F8N5 and a molecular weight of 421.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457982
Molecular FormulaC16H7F8N5
Molecular Weight421.25 g/mol
Exact Mass421.06
IUPAC Name2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)c1nc2ccc(C(F)(F)F)c(-c3cc(C(F)(F)F)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H7F8N5/c17-13(18)14-26-10-2-1-8(15(19,20)21)12(29(10)28-14)6-3-7-5-25-27-11(7)9(4-6)16(22,23)24/h1-5,13H,(H,25,27)
InChIKeyXULMXTJVIJVWCH-UHFFFAOYSA-N
XLogP5.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.25
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
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Ly-2584702
CID 25118925
Ag-24322
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Vebreltinib
CID 72202701
PF-04254644
CID 24871823
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
Vlx-600
CID 6410104
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
Pyrazole 79
CID 23647348
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 134457982) is 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine is FC(F)c1nc2ccc(C(F)(F)F)c(-c3cc(C(F)(F)F)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XULMXTJVIJVWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F8N5/c17-13(18)14-26-10-2-1-8(15(19,20)21)12(29(10)28-14)6-3-7-5-25-27-11(7)9(4-6)16(22,23)24/h1-5,13H,(H,25,27).
What are the key properties of 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine?
2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 421.25 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).