6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine

C14H18BrClN4 — CID 79302252

IUPAC6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC(n2c(CCl)nc3cc(Br)cnc32)C1
InChIInChI=1S/C14H18BrClN4/c1-2-19-5-3-4-11(9-19)20-13(7-16)18-12-6-10(15)8-17-14(12)20/h6,8,11H,2-5,7,9H2,1H3
InChIKeyUPDMTMULRYXVGB-UHFFFAOYSA-N
MW357.68 g/mol
LogP3.59
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 79302252) has the molecular formula C14H18BrClN4 and a molecular weight of 357.68 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID79302252
Molecular FormulaC14H18BrClN4
Molecular Weight357.68 g/mol
Exact Mass356.04
IUPAC Name6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC(n2c(CCl)nc3cc(Br)cnc32)C1
InChIInChI=1S/C14H18BrClN4/c1-2-19-5-3-4-11(9-19)20-13(7-16)18-12-6-10(15)8-17-14(12)20/h6,8,11H,2-5,7,9H2,1H3
InChIKeyUPDMTMULRYXVGB-UHFFFAOYSA-N
XLogP3.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]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

6-bromo-2-(1-chloroethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79280245
6-bromo-2-(chloromethyl)-3-(4-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301958
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
3-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79301919
6-bromo-2-(chloromethyl)-3-(3,4-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79301852
2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79301434
6-bromo-2-(chloromethyl)-3-(2-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79302450
6-bromo-2-(2-chloroethyl)-3-cyclobutylimidazo[4,5-b]pyridine
CID 79302688
6-bromo-2-(chloromethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870400
6-bromo-2-(chloromethyl)-3-(2-methoxycyclopentyl)imidazo[4,5-b]pyridine
CID 79302547
2-(chloromethyl)-1-(1-ethylpiperidin-3-yl)-6,7-difluorobenzimidazole
CID 62533906
6-bromo-2-(2-chloroethyl)-3-(3-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79280268

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine (CID 79302252) is 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine is CCN1CCCC(n2c(CCl)nc3cc(Br)cnc32)C1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is UPDMTMULRYXVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN4/c1-2-19-5-3-4-11(9-19)20-13(7-16)18-12-6-10(15)8-17-14(12)20/h6,8,11H,2-5,7,9H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 357.68 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).