2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine

C14H18ClN3 — CID 114548525

IUPAC2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(C3CCC(C)C3)c2n1
InChIInChI=1S/C14H18ClN3/c1-9-3-5-11(7-9)18-13(8-15)17-12-6-4-10(2)16-14(12)18/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyGPSDWJRLVMNQQW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.84
Rot. Bonds2

About 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine (PubChem CID 114548525) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
PubChem CID114548525
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(C3CCC(C)C3)c2n1
InChIInChI=1S/C14H18ClN3/c1-9-3-5-11(7-9)18-13(8-15)17-12-6-4-10(2)16-14(12)18/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyGPSDWJRLVMNQQW-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.84
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-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
CID 81136095
2-(chloromethyl)-5-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 81135553
6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 81135976
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
2-(chloromethyl)-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methylimidazo[4,5-b]pyridine
CID 81139635
2-(2-chloroethyl)-5-methyl-3-[(3-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 107414374
3-[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 81135449
2-(2-chloroethyl)-5-methyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 81135416
5-methyl-3-(3-methylcyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114548243
2-(2-chloroethyl)-5-methoxy-3-(3-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113467325

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine (CID 114548525) is 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine is Cc1ccc2nc(CCl)n(C3CCC(C)C3)c2n1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
The InChIKey is GPSDWJRLVMNQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-3-5-11(7-9)18-13(8-15)17-12-6-4-10(2)16-14(12)18/h4,6,9,11H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 114548525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).