3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde

C16H14BrN3O — CID 84745250

IUPAC3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCN(C)c1ccc2c(C=O)nc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C16H14BrN3O/c1-19(2)13-6-7-15-14(10-21)18-16(20(15)9-13)11-4-3-5-12(17)8-11/h3-10H,1-2H3
InChIKeyYVXLMPMDICFLBS-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.64
Rot. Bonds3

About 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde

3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84745250) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84745250
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCN(C)c1ccc2c(C=O)nc(-c3cccc(Br)c3)n2c1
InChIInChI=1S/C16H14BrN3O/c1-19(2)13-6-7-15-14(10-21)18-16(20(15)9-13)11-4-3-5-12(17)8-11/h3-10H,1-2H3
InChIKeyYVXLMPMDICFLBS-UHFFFAOYSA-N
XLogP3.64
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745254
6-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745099
3-(aminomethyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740202
3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745253
7-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745096
6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742339
3-(3,4-difluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 82483282
3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836651
6-(dimethylamino)-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742481
7-bromo-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744943
6-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742426
6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743003

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84745250) is 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde is CN(C)c1ccc2c(C=O)nc(-c3cccc(Br)c3)n2c1.
What is the InChIKey of 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is YVXLMPMDICFLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-19(2)13-6-7-15-14(10-21)18-16(20(15)9-13)11-4-3-5-12(17)8-11/h3-10H,1-2H3.
What are the key properties of 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 344.21 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84745250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).