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

C14H18ClN3 — CID 114111868

IUPAC2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C)(C)C1CC1
InChIInChI=1S/C14H18ClN3/c1-9-6-7-16-13-12(9)17-11(8-15)18(13)14(2,3)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3
InChIKeyPHQMHWULXJZWGJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.62
Rot. Bonds3

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

2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 114111868) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine
PubChem CID114111868
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C)(C)C1CC1
InChIInChI=1S/C14H18ClN3/c1-9-6-7-16-13-12(9)17-11(8-15)18(13)14(2,3)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3
InChIKeyPHQMHWULXJZWGJ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[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

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine (CID 114111868) is 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2C(C)(C)C1CC1.
What is the InChIKey of 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is PHQMHWULXJZWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-6-7-16-13-12(9)17-11(8-15)18(13)14(2,3)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-cyclopropylpropan-2-yl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 114111868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).