1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

C14H6BrF6N3O — CID 142362262

IUPAC1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESFC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nc(Br)c3cn2)cc1
InChIInChI=1S/C14H6BrF6N3O/c15-11-10-5-22-9(6-24(10)12(23-11)13(16,17)18)7-1-3-8(4-2-7)25-14(19,20)21/h1-6H
InChIKeyURGPUXGIQUHEHA-UHFFFAOYSA-N
MW426.11 g/mol
LogP5.08
Rot. Bonds2

About 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (PubChem CID 142362262) has the molecular formula C14H6BrF6N3O and a molecular weight of 426.11 g/mol. Its IUPAC name is 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
PubChem CID142362262
Molecular FormulaC14H6BrF6N3O
Molecular Weight426.11 g/mol
Exact Mass424.96
IUPAC Name1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESFC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nc(Br)c3cn2)cc1
InChIInChI=1S/C14H6BrF6N3O/c15-11-10-5-22-9(6-24(10)12(23-11)13(16,17)18)7-1-3-8(4-2-7)25-14(19,20)21/h1-6H
InChIKeyURGPUXGIQUHEHA-UHFFFAOYSA-N
XLogP5.08
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.11
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-bromo-6-[4-(1,1-difluoroethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-fluoroethyl]phosphane
CID 170266506
6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555560
5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
CID 170265880
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338
8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 115404958
6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555490
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenol
CID 134555720
ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 134544072
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555663
3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 164888690

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (CID 142362262) is 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)nc(Br)c3cn2)cc1.
What is the InChIKey of 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The InChIKey is URGPUXGIQUHEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF6N3O/c15-11-10-5-22-9(6-24(10)12(23-11)13(16,17)18)7-1-3-8(4-2-7)25-14(19,20)21/h1-6H.
What are the key properties of 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine has a molecular weight of 426.11 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 142362262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).