3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde

C11H10BrIN4O2 — CID 87855050

IUPAC3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESO=Cc1nc2c(N3CCOCC3)nc(I)cn2c1Br
InChIInChI=1S/C11H10BrIN4O2/c12-9-7(6-18)14-11-10(15-8(13)5-17(9)11)16-1-3-19-4-2-16/h5-6H,1-4H2
InChIKeyMOUSXGWUTJRWHK-UHFFFAOYSA-N
MW437.04 g/mol
LogP1.75
Rot. Bonds2

About 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde

3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde (PubChem CID 87855050) has the molecular formula C11H10BrIN4O2 and a molecular weight of 437.04 g/mol. Its IUPAC name is 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde
PubChem CID87855050
Molecular FormulaC11H10BrIN4O2
Molecular Weight437.04 g/mol
Exact Mass435.90
IUPAC Name3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESO=Cc1nc2c(N3CCOCC3)nc(I)cn2c1Br
InChIInChI=1S/C11H10BrIN4O2/c12-9-7(6-18)14-11-10(15-8(13)5-17(9)11)16-1-3-19-4-2-16/h5-6H,1-4H2
InChIKeyMOUSXGWUTJRWHK-UHFFFAOYSA-N
XLogP1.75
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.04
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
The IUPAC name of 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde (CID 87855050) is 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde is O=Cc1nc2c(N3CCOCC3)nc(I)cn2c1Br.
What is the InChIKey of 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
The InChIKey is MOUSXGWUTJRWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIN4O2/c12-9-7(6-18)14-11-10(15-8(13)5-17(9)11)16-1-3-19-4-2-16/h5-6H,1-4H2.
What are the key properties of 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde?
3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde has a molecular weight of 437.04 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-iodo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 87855050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).