3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde

C16H14BrN3O — CID 84745253

IUPAC3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCN(C)c1ccn2c(-c3ccc(Br)cc3)nc(C=O)c2c1
InChIInChI=1S/C16H14BrN3O/c1-19(2)13-7-8-20-15(9-13)14(10-21)18-16(20)11-3-5-12(17)6-4-11/h3-10H,1-2H3
InChIKeyISQCVQWBTWLZPW-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.64
Rot. Bonds3

About 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde

3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84745253) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84745253
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCN(C)c1ccn2c(-c3ccc(Br)cc3)nc(C=O)c2c1
InChIInChI=1S/C16H14BrN3O/c1-19(2)13-7-8-20-15(9-13)14(10-21)18-16(20)11-3-5-12(17)6-4-11/h3-10H,1-2H3
InChIKeyISQCVQWBTWLZPW-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
7-bromo-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744943
7-(dimethylamino)-3-propan-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83894885
1-bromo-N,N-dimethyl-3-phenylimidazo[1,5-a]pyridin-7-amine
CID 84744531
3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745250
7-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745096
1-formyl-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84742895
7-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743759
6-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745099
1-bromo-7-N,7-N-dimethylimidazo[1,5-a]pyridine-3,7-diamine
CID 83901116
1-bromo-N,N-dimethyl-3-pyridin-2-ylimidazo[1,5-a]pyridin-7-amine
CID 84744584
7-(dimethylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 83877126

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84745253) is 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde is CN(C)c1ccn2c(-c3ccc(Br)cc3)nc(C=O)c2c1.
What is the InChIKey of 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is ISQCVQWBTWLZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-19(2)13-7-8-20-15(9-13)14(10-21)18-16(20)11-3-5-12(17)6-4-11/h3-10H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde?
3-(4-bromophenyl)-7-(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-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84745253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).