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

C13H16BrN3O2 — CID 154655675

IUPAC6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine
SMILESCCOc1nc(Br)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C13H16BrN3O2/c1-2-19-13-12-15-10(9-3-5-18-6-4-9)7-17(12)8-11(14)16-13/h7-9H,2-6H2,1H3
InChIKeyFHETWNVPAQWTFK-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.78
Rot. Bonds3

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

6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 154655675) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine
PubChem CID154655675
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine
SMILESCCOc1nc(Br)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C13H16BrN3O2/c1-2-19-13-12-15-10(9-3-5-18-6-4-9)7-17(12)8-11(14)16-13/h7-9H,2-6H2,1H3
InChIKeyFHETWNVPAQWTFK-UHFFFAOYSA-N
XLogP2.78
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine (CID 154655675) is 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine is CCOc1nc(Br)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is FHETWNVPAQWTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-2-19-13-12-15-10(9-3-5-18-6-4-9)7-17(12)8-11(14)16-13/h7-9H,2-6H2,1H3.
What are the key properties of 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine?
6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 326.19 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 154655675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).