6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine

C14H14BrF2N3O2 — CID 167420001

IUPAC6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine
SMILESCC12CC(c3cn4cc(Br)nc(OCC(F)F)c4n3)(CO1)C2
InChIInChI=1S/C14H14BrF2N3O2/c1-13-5-14(6-13,7-22-13)8-2-20-3-9(15)19-12(11(20)18-8)21-4-10(16)17/h2-3,10H,4-7H2,1H3
InChIKeyZDICLDHPOWPWFG-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.96
Rot. Bonds4

About 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine

6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 167420001) has the molecular formula C14H14BrF2N3O2 and a molecular weight of 374.19 g/mol. Its IUPAC name is 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine
PubChem CID167420001
Molecular FormulaC14H14BrF2N3O2
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine
SMILESCC12CC(c3cn4cc(Br)nc(OCC(F)F)c4n3)(CO1)C2
InChIInChI=1S/C14H14BrF2N3O2/c1-13-5-14(6-13,7-22-13)8-2-20-3-9(15)19-12(11(20)18-8)21-4-10(16)17/h2-3,10H,4-7H2,1H3
InChIKeyZDICLDHPOWPWFG-UHFFFAOYSA-N
XLogP2.96
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine (CID 167420001) is 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine is CC12CC(c3cn4cc(Br)nc(OCC(F)F)c4n3)(CO1)C2.
What is the InChIKey of 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is ZDICLDHPOWPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O2/c1-13-5-14(6-13,7-22-13)8-2-20-3-9(15)19-12(11(20)18-8)21-4-10(16)17/h2-3,10H,4-7H2,1H3.
What are the key properties of 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 374.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(2,2-difluoroethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 167420001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).