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

C15H19BrF3N3O2 — CID 154655734

IUPAC6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane
SMILESCC.FC(F)(F)COc1nc(Br)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C13H13BrF3N3O2.C2H6/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;1-2/h5-6,8H,1-4,7H2;1-2H3
InChIKeyIRKJYIVRBDHONY-UHFFFAOYSA-N
MW410.23 g/mol
LogP4.35
Rot. Bonds3

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

6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane (PubChem CID 154655734) has the molecular formula C15H19BrF3N3O2 and a molecular weight of 410.23 g/mol. Its IUPAC name is 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane.

Molecular Properties

Compound Name6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane
PubChem CID154655734
Molecular FormulaC15H19BrF3N3O2
Molecular Weight410.23 g/mol
Exact Mass409.06
IUPAC Name6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane
SMILESCC.FC(F)(F)COc1nc(Br)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C13H13BrF3N3O2.C2H6/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;1-2/h5-6,8H,1-4,7H2;1-2H3
InChIKeyIRKJYIVRBDHONY-UHFFFAOYSA-N
XLogP4.35
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 54.35
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;ethane?
The IUPAC name of 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane (CID 154655734) is 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane.
What is the SMILES notation for 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane?
The canonical SMILES for 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane is CC.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;ethane?
The InChIKey is IRKJYIVRBDHONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3O2.C2H6/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;1-2/h5-6,8H,1-4,7H2;1-2H3.
What are the key properties of 6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane?
6-bromo-2-(oxan-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine;ethane has a molecular weight of 410.23 g/mol, XLogP of 4.35, 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;ethane is sourced from PubChem (CID 154655734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).