3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine

C14H18BrN3S — CID 114237430

IUPAC3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCSC1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C14H18BrN3S/c1-19-11-5-8-17(9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyDJFIJCVKYUBARW-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.56
Rot. Bonds3

About 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 114237430) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
PubChem CID114237430
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
SMILESCSC1CCN(c2nc3ccccn3c2CBr)CC1
InChIInChI=1S/C14H18BrN3S/c1-19-11-5-8-17(9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyDJFIJCVKYUBARW-UHFFFAOYSA-N
XLogP3.56
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080186
3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080810
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 107081425
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107083876
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-2-methyl-1,4-oxazepane
CID 107082957
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 103499447
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylthiomorpholine
CID 107083855
3-(chloromethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 54882666

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine (CID 114237430) is 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine is CSC1CCN(c2nc3ccccn3c2CBr)CC1.
What is the InChIKey of 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is DJFIJCVKYUBARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-19-11-5-8-17(9-6-11)14-12(10-15)18-7-3-2-4-13(18)16-14/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 340.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 114237430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).