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

C16H24ClN3O — CID 115323122

IUPAC2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCCC(CC)(CC)n1c(CCCl)nc2ccc(OC)nc21
InChIInChI=1S/C16H24ClN3O/c1-5-16(6-2,7-3)20-13(10-11-17)18-12-8-9-14(21-4)19-15(12)20/h8-9H,5-7,10-11H2,1-4H3
InChIKeyPBWLSUYHHZSWKY-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.15
Rot. Bonds7

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

2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 115323122) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
PubChem CID115323122
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCCC(CC)(CC)n1c(CCCl)nc2ccc(OC)nc21
InChIInChI=1S/C16H24ClN3O/c1-5-16(6-2,7-3)20-13(10-11-17)18-12-8-9-14(21-4)19-15(12)20/h8-9H,5-7,10-11H2,1-4H3
InChIKeyPBWLSUYHHZSWKY-UHFFFAOYSA-N
XLogP4.15
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.15
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-(3-ethylpentan-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81135769
2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322637
2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113467325
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
2-(2-chloroethyl)-5-methoxy-3-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-b]pyridine
CID 106295014
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-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322893
2-(2-chloroethyl)-5-methoxy-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115322705
2-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 115322869
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine (CID 115323122) is 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine is CCC(CC)(CC)n1c(CCCl)nc2ccc(OC)nc21.
What is the InChIKey of 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is PBWLSUYHHZSWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-5-16(6-2,7-3)20-13(10-11-17)18-12-8-9-14(21-4)19-15(12)20/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 309.84 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 115323122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).