2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine

C15H20ClN3 — CID 79293789

IUPAC2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1CCCCC1
InChIInChI=1S/C15H20ClN3/c1-11-8-10-17-15-14(11)18-13(7-9-16)19(15)12-5-3-2-4-6-12/h8,10,12H,2-7,9H2,1H3
InChIKeyKJMSNWKFROMPDL-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293789) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
PubChem CID79293789
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1CCCCC1
InChIInChI=1S/C15H20ClN3/c1-11-8-10-17-15-14(11)18-13(7-9-16)19(15)12-5-3-2-4-6-12/h8,10,12H,2-7,9H2,1H3
InChIKeyKJMSNWKFROMPDL-UHFFFAOYSA-N
XLogP4.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.03
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-cyclohexyl-7-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)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79294095
2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79362792
2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine
CID 79293082
3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288453
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
2-(chloromethyl)-7-methyl-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 80714235
2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029
2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
CID 79293535
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine (CID 79293789) is 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2C1CCCCC1.
What is the InChIKey of 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
The InChIKey is KJMSNWKFROMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-8-10-17-15-14(11)18-13(7-9-16)19(15)12-5-3-2-4-6-12/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.03, 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-cyclohexyl-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).