1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde

C12H11BrN2O — CID 83904653

IUPAC1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(C3CCC3)nc(Br)c2c1
InChIInChI=1S/C12H11BrN2O/c13-11-10-6-8(7-16)4-5-15(10)12(14-11)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyQJAGLDQDBWZHNE-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.18
Rot. Bonds2

About 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde

1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 83904653) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
PubChem CID83904653
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(C3CCC3)nc(Br)c2c1
InChIInChI=1S/C12H11BrN2O/c13-11-10-6-8(7-16)4-5-15(10)12(14-11)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyQJAGLDQDBWZHNE-UHFFFAOYSA-N
XLogP3.18
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83840045
1-bromo-3-cyclobutyl-7-methylimidazo[1,5-a]pyridine
CID 83844519
1-bromo-3-cyclobutylimidazo[1,5-a]pyridin-7-amine
CID 83844547
3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83831720
3-cyclopropylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83828916
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-ol
CID 117254078
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744774
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775
3-cyclobutylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83831717
1-bromo-3-cyclopropyl-7-piperazin-1-ylimidazo[1,5-a]pyridine
CID 84604563
7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744295
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde
CID 83835492

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde (CID 83904653) is 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde is O=Cc1ccn2c(C3CCC3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is QJAGLDQDBWZHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-11-10-6-8(7-16)4-5-15(10)12(14-11)9-2-1-3-9/h4-7,9H,1-3H2.
What are the key properties of 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde?
1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 279.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 83904653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).