2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine

C14H18ClN3 — CID 113485709

IUPAC2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2C1(C)CCC1
InChIInChI=1S/C14H18ClN3/c1-10-8-11-13(16-9-10)18(12(17-11)4-7-15)14(2)5-3-6-14/h8-9H,3-7H2,1-2H3
InChIKeyKCPBALPTBLEEPP-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.42
Rot. Bonds3

About 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine (PubChem CID 113485709) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
PubChem CID113485709
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2C1(C)CCC1
InChIInChI=1S/C14H18ClN3/c1-10-8-11-13(16-9-10)18(12(17-11)4-7-15)14(2)5-3-6-14/h8-9H,3-7H2,1-2H3
InChIKeyKCPBALPTBLEEPP-UHFFFAOYSA-N
XLogP3.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
CID 79278559
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
6-methyl-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-amine
CID 79301553
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 79306658
2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 106036574
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
CID 103463014
2-(2-chloroethyl)-5-fluoro-1-(1-methylcyclobutyl)benzimidazole
CID 113485698
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995
2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 104763586

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine (CID 113485709) is 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2C1(C)CCC1.
What is the InChIKey of 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine?
The InChIKey is KCPBALPTBLEEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10-8-11-13(16-9-10)18(12(17-11)4-7-15)14(2)5-3-6-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 113485709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).