2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine

C14H21N3 — CID 114282266

IUPAC2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(C(C(C)C)C(C)C)[nH]c12
InChIInChI=1S/C14H21N3/c1-8(2)11(9(3)4)13-16-12-10(5)6-7-15-14(12)17-13/h6-9,11H,1-5H3,(H,15,16,17)
InChIKeyAWFSYGKYNYJDIN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.66
Rot. Bonds3

About 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine

2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 114282266) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID114282266
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(C(C(C)C)C(C)C)[nH]c12
InChIInChI=1S/C14H21N3/c1-8(2)11(9(3)4)13-16-12-10(5)6-7-15-14(12)17-13/h6-9,11H,1-5H3,(H,15,16,17)
InChIKeyAWFSYGKYNYJDIN-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (CID 114282266) is 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(C(C(C)C)C(C)C)[nH]c12.
What is the InChIKey of 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is AWFSYGKYNYJDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-8(2)11(9(3)4)13-16-12-10(5)6-7-15-14(12)17-13/h6-9,11H,1-5H3,(H,15,16,17).
What are the key properties of 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 231.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-3-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 114282266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).