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

C31H17F11N10O3 — CID 142362399

IUPAC3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)COc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cn1.Fc1ccc(Oc2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1
InChIInChI=1S/C18H10F5N5O2.C13H7F6N5O/c19-11-1-3-12(4-2-11)30-17-27-26-15-7-24-14(8-28(15)17)10-5-13(20)16(25-6-10)29-9-18(21,22)23;14-12(15,16)6-25-10-2-1-7(3-21-10)8-5-24-9(4-20-8)22-23-11(24)13(17,18)19/h1-8H,9H2;1-5H,6H2
InChIKeyZWPUEALBJIDTNJ-UHFFFAOYSA-N
MW786.52 g/mol
LogP7.34
Rot. Bonds8

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

3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362399) has the molecular formula C31H17F11N10O3 and a molecular weight of 786.52 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID142362399
Molecular FormulaC31H17F11N10O3
Molecular Weight786.52 g/mol
Exact Mass786.13
IUPAC Name3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)COc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cn1.Fc1ccc(Oc2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1
InChIInChI=1S/C18H10F5N5O2.C13H7F6N5O/c19-11-1-3-12(4-2-11)30-17-27-26-15-7-24-14(8-28(15)17)10-5-13(20)16(25-6-10)29-9-18(21,22)23;14-12(15,16)6-25-10-2-1-7(3-21-10)8-5-24-9(4-20-8)22-23-11(24)13(17,18)19/h1-8H,9H2;1-5H,6H2
InChIKeyZWPUEALBJIDTNJ-UHFFFAOYSA-N
XLogP7.34
TPSA139.63 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.52
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
Prax-562
CID 147075611
3-[2-[4-[4-(2-Methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-8-pyridin-2-yl-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10118562
4-[2-[4-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11419123
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)oxy]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66551309
6-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 87178559
2-[2-(2-Methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525854
2-[6-[(2-Fluorophenyl)methoxy]-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl]-5-piperidin-1-ylpyrimidine-4,6-diamine
CID 155382360

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362399) is 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)COc1ccc(-c2cn3c(C(F)(F)F)nnc3cn2)cn1.Fc1ccc(Oc2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZWPUEALBJIDTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N5O2.C13H7F6N5O/c19-11-1-3-12(4-2-11)30-17-27-26-15-7-24-14(8-28(15)17)10-5-13(20)16(25-6-10)29-9-18(21,22)23;14-12(15,16)6-25-10-2-1-7(3-21-10)8-5-24-9(4-20-8)22-23-11(24)13(17,18)19/h1-8H,9H2;1-5H,6H2.
What are the key properties of 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 786.52 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).