2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine

C15H18ClN3O — CID 115322851

IUPAC2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(C(C3CC3)C3CC3)c2n1
InChIInChI=1S/C15H18ClN3O/c1-20-13-7-6-11-15(18-13)19(12(8-16)17-11)14(9-2-3-9)10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyZGLRDIZHZCUVOL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.54
Rot. Bonds5

About 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 115322851) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine
PubChem CID115322851
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(C(C3CC3)C3CC3)c2n1
InChIInChI=1S/C15H18ClN3O/c1-20-13-7-6-11-15(18-13)19(12(8-16)17-11)14(9-2-3-9)10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyZGLRDIZHZCUVOL-UHFFFAOYSA-N
XLogP3.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[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)-5-methoxy-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115322835
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
2-(chloromethyl)-5-methoxy-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 115323110
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 115322847
2-(chloromethyl)-3-(2,3-dimethylcyclohexyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322587
2-(1-chloroethyl)-3-(1-cyclopropylpropan-2-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323065
2-(chloromethyl)-5-methoxy-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005161
2-(chloromethyl)-1-(dicyclopropylmethyl)-5-iodobenzimidazole
CID 66081645
3-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-1-methylpyrrolidin-2-one
CID 106259151
2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 115322890
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293736

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine (CID 115322851) is 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine is COc1ccc2nc(CCl)n(C(C3CC3)C3CC3)c2n1.
What is the InChIKey of 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is ZGLRDIZHZCUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-20-13-7-6-11-15(18-13)19(12(8-16)17-11)14(9-2-3-9)10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 291.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 115322851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).