6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine

C13H13BrF3N3O2 — CID 154655735

IUPAC6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)COc1nc(Br)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C13H13BrF3N3O2/c14-10-6-20-5-9(8-1-3-21-4-2-8)18-11(20)12(19-10)22-7-13(15,16)17/h5-6,8H,1-4,7H2
InChIKeyGDKZNWPTBBWAHZ-UHFFFAOYSA-N
MW380.16 g/mol
LogP3.33
Rot. Bonds3

About 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine

6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine (PubChem CID 154655735) has the molecular formula C13H13BrF3N3O2 and a molecular weight of 380.16 g/mol. Its IUPAC name is 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
PubChem CID154655735
Molecular FormulaC13H13BrF3N3O2
Molecular Weight380.16 g/mol
Exact Mass379.01
IUPAC Name6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)COc1nc(Br)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C13H13BrF3N3O2/c14-10-6-20-5-9(8-1-3-21-4-2-8)18-11(20)12(19-10)22-7-13(15,16)17/h5-6,8H,1-4,7H2
InChIKeyGDKZNWPTBBWAHZ-UHFFFAOYSA-N
XLogP3.33
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine (CID 154655735) is 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine is FC(F)(F)COc1nc(Br)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine?
The InChIKey is GDKZNWPTBBWAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3O2/c14-10-6-20-5-9(8-1-3-21-4-2-8)18-11(20)12(19-10)22-7-13(15,16)17/h5-6,8H,1-4,7H2.
What are the key properties of 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine?
6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine has a molecular weight of 380.16 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 154655735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).