2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine

C16H22ClN3O — CID 115322701

IUPAC2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3CCCCCC3)c2n1
InChIInChI=1S/C16H22ClN3O/c1-21-15-9-8-13-16(19-15)20(14(18-13)10-11-17)12-6-4-2-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyPZTKQDORDZHXOK-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.12
Rot. Bonds4

About 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 115322701) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
PubChem CID115322701
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCCl)n(C3CCCCCC3)c2n1
InChIInChI=1S/C16H22ClN3O/c1-21-15-9-8-13-16(19-15)20(14(18-13)10-11-17)12-6-4-2-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyPZTKQDORDZHXOK-UHFFFAOYSA-N
XLogP4.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.12
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)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 115322724
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113467325
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323096
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
2-(2-chloroethyl)-5-methoxy-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115323175
2-(chloromethyl)-3-(2,3-dimethylcyclohexyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322587
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323122
8-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one
CID 139518479

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine (CID 115322701) is 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine is COc1ccc2nc(CCCl)n(C3CCCCCC3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is PZTKQDORDZHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-21-15-9-8-13-16(19-15)20(14(18-13)10-11-17)12-6-4-2-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 307.82 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 115322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).