6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

C13H7BrF3N3O — CID 79953042

IUPAC6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1ccc(Oc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C13H7BrF3N3O/c14-10-7-20-6-5-18-11(20)12(19-10)21-9-3-1-8(2-4-9)13(15,16)17/h1-7H
InChIKeyBYTYTXYBUGDJDP-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.30
Rot. Bonds2

About 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (PubChem CID 79953042) has the molecular formula C13H7BrF3N3O and a molecular weight of 358.12 g/mol. Its IUPAC name is 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
PubChem CID79953042
Molecular FormulaC13H7BrF3N3O
Molecular Weight358.12 g/mol
Exact Mass356.97
IUPAC Name6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1ccc(Oc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C13H7BrF3N3O/c14-10-7-20-6-5-18-11(20)12(19-10)21-9-3-1-8(2-4-9)13(15,16)17/h1-7H
InChIKeyBYTYTXYBUGDJDP-UHFFFAOYSA-N
XLogP4.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (CID 79953042) is 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is FC(F)(F)c1ccc(Oc2nc(Br)cn3ccnc23)cc1.
What is the InChIKey of 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The InChIKey is BYTYTXYBUGDJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O/c14-10-7-20-6-5-18-11(20)12(19-10)21-9-3-1-8(2-4-9)13(15,16)17/h1-7H.
What are the key properties of 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine has a molecular weight of 358.12 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79953042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).