2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine

C13H18ClN3O3S — CID 115322893

IUPAC2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(CCCS(C)(=O)=O)c2n1
InChIInChI=1S/C13H18ClN3O3S/c1-20-12-5-4-10-13(16-12)17(11(15-10)6-7-14)8-3-9-21(2,18)19/h4-5H,3,6-9H2,1-2H3
InChIKeyMTGDKIDGADLSJE-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.66
Rot. Bonds7

About 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine (PubChem CID 115322893) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
PubChem CID115322893
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC Name2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(CCCS(C)(=O)=O)c2n1
InChIInChI=1S/C13H18ClN3O3S/c1-20-12-5-4-10-13(16-12)17(11(15-10)6-7-14)8-3-9-21(2,18)19/h4-5H,3,6-9H2,1-2H3
InChIKeyMTGDKIDGADLSJE-UHFFFAOYSA-N
XLogP1.66
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)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

2-(2-chloroethyl)-5-methyl-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 81136240
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892
2-(2-chloroethyl)-5-methyl-3-(2-methylsulfonylethyl)imidazo[4,5-b]pyridine
CID 81135399
2-(chloromethyl)-5-methyl-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 81136392
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
2-(2-chloroethyl)-5-methoxy-3-[(1-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 82874251
2-(2-chloroethyl)-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106432045
2-(2-chloroethyl)-5-methoxy-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115322705
2-(chloromethyl)-5-methoxy-3-(3-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323003
2-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 115322869
2-(chloromethyl)-5-methoxy-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005161
2-(2-chloroethyl)-5-methoxy-3-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-b]pyridine
CID 106295014

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine (CID 115322893) is 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine is COc1ccc2nc(CCCl)n(CCCS(C)(=O)=O)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is MTGDKIDGADLSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-20-12-5-4-10-13(16-12)17(11(15-10)6-7-14)8-3-9-21(2,18)19/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 331.83 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 115322893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).