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

C15H17BrFN3O2 — CID 167420218

IUPAC6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine
SMILESCC(C)Oc1nc(Br)cn2cc(C34COC(CF)(C3)C4)nc12
InChIInChI=1S/C15H17BrFN3O2/c1-9(2)22-13-12-18-10(3-20(12)4-11(16)19-13)14-5-15(6-14,7-17)21-8-14/h3-4,9H,5-8H2,1-2H3
InChIKeyVYKDYWFYOOHWJR-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.05
Rot. Bonds4

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

6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine (PubChem CID 167420218) has the molecular formula C15H17BrFN3O2 and a molecular weight of 370.22 g/mol. Its IUPAC name is 6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine
PubChem CID167420218
Molecular FormulaC15H17BrFN3O2
Molecular Weight370.22 g/mol
Exact Mass369.05
IUPAC Name6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine
SMILESCC(C)Oc1nc(Br)cn2cc(C34COC(CF)(C3)C4)nc12
InChIInChI=1S/C15H17BrFN3O2/c1-9(2)22-13-12-18-10(3-20(12)4-11(16)19-13)14-5-15(6-14,7-17)21-8-14/h3-4,9H,5-8H2,1-2H3
InChIKeyVYKDYWFYOOHWJR-UHFFFAOYSA-N
XLogP3.05
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.05
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-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine (CID 167420218) is 6-bromo-2-[1-(fluoromethyl)-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-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine is CC(C)Oc1nc(Br)cn2cc(C34COC(CF)(C3)C4)nc12.
What is the InChIKey of 6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
The InChIKey is VYKDYWFYOOHWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O2/c1-9(2)22-13-12-18-10(3-20(12)4-11(16)19-13)14-5-15(6-14,7-17)21-8-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine?
6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine has a molecular weight of 370.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-8-propan-2-yloxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 167420218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).