6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C28H19F10N9O2 — CID 142362320

IUPAC6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H13F3N4O.C13H6F7N5O/c1-9(2)23-11-5-3-10(4-6-11)12-8-22-13(7-19-12)20-21-14(22)15(16,17)18;14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20/h3-9H,1-2H3;1-4H,5H2
InChIKeyHCIHXCXYQGBEFM-UHFFFAOYSA-N
MW703.50 g/mol
LogP6.88
Rot. Bonds6

About 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362320) has the molecular formula C28H19F10N9O2 and a molecular weight of 703.50 g/mol. Its IUPAC name is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID142362320
Molecular FormulaC28H19F10N9O2
Molecular Weight703.50 g/mol
Exact Mass703.15
IUPAC Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H13F3N4O.C13H6F7N5O/c1-9(2)23-11-5-3-10(4-6-11)12-8-22-13(7-19-12)20-21-14(22)15(16,17)18;14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20/h3-9H,1-2H3;1-4H,5H2
InChIKeyHCIHXCXYQGBEFM-UHFFFAOYSA-N
XLogP6.88
TPSA117.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.50
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine 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

Taletrectinib
CID 72202474
Methyl substituted pyrazole, 27
CID 23648674
Methyl substituted pyrazole, 28
CID 23648676
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
Prax-562
CID 147075611
Lmtk3-IN-1
CID 138454301
US10399985, Example 35
CID 118278137

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362320) is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)Oc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cc1.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HCIHXCXYQGBEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O.C13H6F7N5O/c1-9(2)23-11-5-3-10(4-6-11)12-8-22-13(7-19-12)20-21-14(22)15(16,17)18;14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20/h3-9H,1-2H3;1-4H,5H2.
What are the key properties of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 703.50 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).