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

C15H20ClN3 — CID 81135976

IUPAC2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(C3C(C)(C)C3(C)C)c2n1
InChIInChI=1S/C15H20ClN3/c1-9-6-7-10-12(17-9)19(11(8-16)18-10)13-14(2,3)15(13,4)5/h6-7,13H,8H2,1-5H3
InChIKeyZKTWIMVETUHIEP-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.09
Rot. Bonds2

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

2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine (PubChem CID 81135976) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
PubChem CID81135976
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(C3C(C)(C)C3(C)C)c2n1
InChIInChI=1S/C15H20ClN3/c1-9-6-7-10-12(17-9)19(11(8-16)18-10)13-14(2,3)15(13,4)5/h6-7,13H,8H2,1-5H3
InChIKeyZKTWIMVETUHIEP-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-5-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 81135553
2-(chloromethyl)-3-(4-ethylcyclohexyl)-5-methylimidazo[4,5-b]pyridine
CID 81136095
2-(chloromethyl)-5-methyl-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548525
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)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-(2-chloroethyl)-3-(2-methoxycyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81136396
2-(2-chloroethyl)-3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 81135885
2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
3-[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 81135449

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine (CID 81135976) is 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine is Cc1ccc2nc(CCl)n(C3C(C)(C)C3(C)C)c2n1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
The InChIKey is ZKTWIMVETUHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-9-6-7-10-12(17-9)19(11(8-16)18-10)13-14(2,3)15(13,4)5/h6-7,13H,8H2,1-5H3.
What are the key properties of 2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.09, 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-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81135976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).