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

C15H18BrN3O2 — CID 154655711

IUPAC6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine
SMILESCC(C)Oc1nc(Br)cn2cc(C34COC(C)(C3)C4)nc12
InChIInChI=1S/C15H18BrN3O2/c1-9(2)21-13-12-17-10(4-19(12)5-11(16)18-13)15-6-14(3,7-15)20-8-15/h4-5,9H,6-8H2,1-3H3
InChIKeyUPAYGFPPTLOJKC-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.10
Rot. Bonds3

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

6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine (PubChem CID 154655711) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine
PubChem CID154655711
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine
SMILESCC(C)Oc1nc(Br)cn2cc(C34COC(C)(C3)C4)nc12
InChIInChI=1S/C15H18BrN3O2/c1-9(2)21-13-12-17-10(4-19(12)5-11(16)18-13)15-6-14(3,7-15)20-8-15/h4-5,9H,6-8H2,1-3H3
InChIKeyUPAYGFPPTLOJKC-UHFFFAOYSA-N
XLogP3.10
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine (CID 154655711) is 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine is CC(C)Oc1nc(Br)cn2cc(C34COC(C)(C3)C4)nc12.
What is the InChIKey of 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
The InChIKey is UPAYGFPPTLOJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9(2)21-13-12-17-10(4-19(12)5-11(16)18-13)15-6-14(3,7-15)20-8-15/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine has a molecular weight of 352.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 154655711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).