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

C16H21BrN4 — CID 107081425

IUPAC3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESBrCc1c(N2CCN(CC3CC3)CC2)nc2ccccn12
InChIInChI=1S/C16H21BrN4/c17-11-14-16(18-15-3-1-2-6-21(14)15)20-9-7-19(8-10-20)12-13-4-5-13/h1-3,6,13H,4-5,7-12H2
InChIKeyYJAZVEOGGJHBMU-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.76
Rot. Bonds4

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

3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 107081425) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
PubChem CID107081425
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
SMILESBrCc1c(N2CCN(CC3CC3)CC2)nc2ccccn12
InChIInChI=1S/C16H21BrN4/c17-11-14-16(18-15-3-1-2-6-21(14)15)20-9-7-19(8-10-20)12-13-4-5-13/h1-3,6,13H,4-5,7-12H2
InChIKeyYJAZVEOGGJHBMU-UHFFFAOYSA-N
XLogP2.76
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.76
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-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 114237430
3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080810
3-(bromomethyl)-2-(4-methoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080186
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729
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
2-[2-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63783044
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 43584737

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine (CID 107081425) is 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is BrCc1c(N2CCN(CC3CC3)CC2)nc2ccccn12.
What is the InChIKey of 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is YJAZVEOGGJHBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c17-11-14-16(18-15-3-1-2-6-21(14)15)20-9-7-19(8-10-20)12-13-4-5-13/h1-3,6,13H,4-5,7-12H2.
What are the key properties of 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 349.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 107081425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).