6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine

C12H14BrN3O2 — CID 154655518

IUPAC6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine
SMILESCOc1nc(Br)cn2cc(C3CCCOC3)nc12
InChIInChI=1S/C12H14BrN3O2/c1-17-12-11-14-9(8-3-2-4-18-7-8)5-16(11)6-10(13)15-12/h5-6,8H,2-4,7H2,1H3
InChIKeyMMFSSSDULJSUQK-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.39
Rot. Bonds2

About 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine

6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine (PubChem CID 154655518) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine
PubChem CID154655518
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine
SMILESCOc1nc(Br)cn2cc(C3CCCOC3)nc12
InChIInChI=1S/C12H14BrN3O2/c1-17-12-11-14-9(8-3-2-4-18-7-8)5-16(11)6-10(13)15-12/h5-6,8H,2-4,7H2,1H3
InChIKeyMMFSSSDULJSUQK-UHFFFAOYSA-N
XLogP2.39
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine (CID 154655518) is 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine is COc1nc(Br)cn2cc(C3CCCOC3)nc12.
What is the InChIKey of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine?
The InChIKey is MMFSSSDULJSUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-17-12-11-14-9(8-3-2-4-18-7-8)5-16(11)6-10(13)15-12/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine?
6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine has a molecular weight of 312.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 154655518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).