2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine

C16H22ClN3 — CID 81135670

IUPAC2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(C3CCCCCC3)c2n1
InChIInChI=1S/C16H22ClN3/c1-12-8-9-14-16(18-12)20(15(19-14)10-11-17)13-6-4-2-3-5-7-13/h8-9,13H,2-7,10-11H2,1H3
InChIKeyWZOGHNBECROZSQ-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.42
Rot. Bonds3

About 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine (PubChem CID 81135670) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
PubChem CID81135670
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(C3CCCCCC3)c2n1
InChIInChI=1S/C16H22ClN3/c1-12-8-9-14-16(18-12)20(15(19-14)10-11-17)13-6-4-2-3-5-7-13/h8-9,13H,2-7,10-11H2,1H3
InChIKeyWZOGHNBECROZSQ-UHFFFAOYSA-N
XLogP4.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[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

2-(2-chloroethyl)-5-methyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 81135416
2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
3-[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 81135449
2-(2-chloroethyl)-3-(2-methoxycyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81136396
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
CID 81136095
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
CID 79293789
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548525
2-(chloromethyl)-5-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 81135553

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine (CID 81135670) is 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(C3CCCCCC3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine?
The InChIKey is WZOGHNBECROZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-12-8-9-14-16(18-12)20(15(19-14)10-11-17)13-6-4-2-3-5-7-13/h8-9,13H,2-7,10-11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81135670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).