2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine

C14H20ClN3O — CID 114943375

IUPAC2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
SMILESCCOC(C)(C)Cn1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C14H20ClN3O/c1-5-19-14(3,4)9-18-11(8-15)17-12-10(2)6-7-16-13(12)18/h6-7H,5,8-9H2,1-4H3
InChIKeyNAWZEWQWBYWMSS-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.29
Rot. Bonds5

About 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 114943375) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID114943375
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
SMILESCCOC(C)(C)Cn1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C14H20ClN3O/c1-5-19-14(3,4)9-18-11(8-15)17-12-10(2)6-7-16-13(12)18/h6-7H,5,8-9H2,1-4H3
InChIKeyNAWZEWQWBYWMSS-UHFFFAOYSA-N
XLogP3.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-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-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
ethyl 3-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79293015
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(chloromethyl)-7-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[4,5-b]pyridine
CID 79293674
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
2-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 114180809
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101235
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81177532
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 114516342
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 79293893
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine (CID 114943375) is 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine is CCOC(C)(C)Cn1c(CCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is NAWZEWQWBYWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-5-19-14(3,4)9-18-11(8-15)17-12-10(2)6-7-16-13(12)18/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 281.79 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 114943375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).