3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine

C15H20BrN3 — CID 107083876

IUPAC3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCC1(C)CCCN(c2nc3ccccn3c2CBr)C1
InChIInChI=1S/C15H20BrN3/c1-15(2)7-5-8-18(11-15)14-12(10-16)19-9-4-3-6-13(19)17-14/h3-4,6,9H,5,7-8,10-11H2,1-2H3
InChIKeyUWUHJETZXLVIKS-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.86
Rot. Bonds2

About 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 107083876) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
PubChem CID107083876
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCC1(C)CCCN(c2nc3ccccn3c2CBr)C1
InChIInChI=1S/C15H20BrN3/c1-15(2)7-5-8-18(11-15)14-12(10-16)19-9-4-3-6-13(19)17-14/h3-4,6,9H,5,7-8,10-11H2,1-2H3
InChIKeyUWUHJETZXLVIKS-UHFFFAOYSA-N
XLogP3.86
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine 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

Glu-P 2
CID 49970
Glu-P 1
CID 49971
Dipraglurant
CID 44557636
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
Imidazo(1,2-a)pyridine
CID 78960
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
3-Phenylimidazo(1,5-a)pyridine
CID 606670
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
6-Bromo-8-methylimidazo(1,2-a)pyridine
CID 5260647

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine (CID 107083876) is 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine is CC1(C)CCCN(c2nc3ccccn3c2CBr)C1.
What is the InChIKey of 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is UWUHJETZXLVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-15(2)7-5-8-18(11-15)14-12(10-16)19-9-4-3-6-13(19)17-14/h3-4,6,9H,5,7-8,10-11H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 322.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107083876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).