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

C14H18ClN3O — CID 113467325

IUPAC2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3CC(C)C3)c2n1
InChIInChI=1S/C14H18ClN3O/c1-9-7-10(8-9)18-12(5-6-15)16-11-3-4-13(19-2)17-14(11)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXSLLAWJIEZSSOM-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.19
Rot. Bonds4

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

2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine (PubChem CID 113467325) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
PubChem CID113467325
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3CC(C)C3)c2n1
InChIInChI=1S/C14H18ClN3O/c1-9-7-10(8-9)18-12(5-6-15)16-11-3-4-13(19-2)17-14(11)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXSLLAWJIEZSSOM-UHFFFAOYSA-N
XLogP3.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 115322724
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323096
2-(2-chloroethyl)-5-iodo-1-(3-methylcyclobutyl)benzimidazole
CID 113467350
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323122
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
2-(chloromethyl)-3-(2,3-dimethylcyclohexyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322587
2-(2-chloroethyl)-3-(1,4-dioxan-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322790
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(2-chloroethyl)-5-methoxy-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115323175
7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine
CID 114286247

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine (CID 113467325) is 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine is COc1ccc2nc(CCCl)n(C3CC(C)C3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine?
The InChIKey is XSLLAWJIEZSSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-7-10(8-9)18-12(5-6-15)16-11-3-4-13(19-2)17-14(11)18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine has a molecular weight of 279.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 113467325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).