2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine

C14H18ClN3 — CID 113475694

IUPAC2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CC(C)C1CC1
InChIInChI=1S/C14H18ClN3/c1-9-5-6-16-14-13(9)17-12(7-15)18(14)8-10(2)11-3-4-11/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeySEQCASQRODBZRB-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.52
Rot. Bonds4

About 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 113475694) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID113475694
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2CC(C)C1CC1
InChIInChI=1S/C14H18ClN3/c1-9-5-6-16-14-13(9)17-12(7-15)18(14)8-10(2)11-3-4-11/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeySEQCASQRODBZRB-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.52
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-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293736
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 114516342
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276099
2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79293597
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
5-(chloromethyl)-6-(2-cyclopropylpropyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 113475688
3-butan-2-yl-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293279
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 114111868
2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101235

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine (CID 113475694) is 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2CC(C)C1CC1.
What is the InChIKey of 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is SEQCASQRODBZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-5-6-16-14-13(9)17-12(7-15)18(14)8-10(2)11-3-4-11/h5-6,10-11H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 113475694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).