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

C13H14BrN3O — CID 84744295

IUPAC7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C2CCCNC2)n2ccc(Br)cc12
InChIInChI=1S/C13H14BrN3O/c14-10-3-5-17-12(6-10)11(8-18)16-13(17)9-2-1-4-15-7-9/h3,5-6,8-9,15H,1-2,4,7H2
InChIKeyBVIRCWNVSZWTCS-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.38
Rot. Bonds2

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

7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84744295) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84744295
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C2CCCNC2)n2ccc(Br)cc12
InChIInChI=1S/C13H14BrN3O/c14-10-3-5-17-12(6-10)11(8-18)16-13(17)9-2-1-4-15-7-9/h3,5-6,8-9,15H,1-2,4,7H2
InChIKeyBVIRCWNVSZWTCS-UHFFFAOYSA-N
XLogP2.38
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-ol
CID 117254078
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775
1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743442
1,7-dichloro-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 117254087
6-methyl-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740715
1-chloro-3-piperidin-3-ylimidazo[1,5-a]pyridin-7-amine
CID 117254085
3-cyclobutylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83831717
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83904653
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
1-bromo-6-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743889
3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde
CID 83835603

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84744295) is 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(C2CCCNC2)n2ccc(Br)cc12.
What is the InChIKey of 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is BVIRCWNVSZWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-10-3-5-17-12(6-10)11(8-18)16-13(17)9-2-1-4-15-7-9/h3,5-6,8-9,15H,1-2,4,7H2.
What are the key properties of 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 308.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84744295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).