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

C16H18BrN3O2 — CID 154655257

IUPAC6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine
SMILESCC12CC(c3cn4cc(Br)nc(OC5CCC5)c4n3)(CO1)C2
InChIInChI=1S/C16H18BrN3O2/c1-15-7-16(8-15,9-21-15)11-5-20-6-12(17)19-14(13(20)18-11)22-10-3-2-4-10/h5-6,10H,2-4,7-9H2,1H3
InChIKeyQTDJLDRAZJKUII-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.24
Rot. Bonds3

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

6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 154655257) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine
PubChem CID154655257
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine
SMILESCC12CC(c3cn4cc(Br)nc(OC5CCC5)c4n3)(CO1)C2
InChIInChI=1S/C16H18BrN3O2/c1-15-7-16(8-15,9-21-15)11-5-20-6-12(17)19-14(13(20)18-11)22-10-3-2-4-10/h5-6,10H,2-4,7-9H2,1H3
InChIKeyQTDJLDRAZJKUII-UHFFFAOYSA-N
XLogP3.24
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine (CID 154655257) is 6-bromo-8-cyclobutyloxy-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-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine is CC12CC(c3cn4cc(Br)nc(OC5CCC5)c4n3)(CO1)C2.
What is the InChIKey of 6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is QTDJLDRAZJKUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-15-7-16(8-15,9-21-15)11-5-20-6-12(17)19-14(13(20)18-11)22-10-3-2-4-10/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine?
6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 364.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 154655257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).