2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

C20H23N3O2S — CID 23026110

IUPAC2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3nc(CCC4CCCC4)[nH]c3c2)cc1
InChIInChI=1S/C20H23N3O2S/c1-26(24,25)17-9-7-15(8-10-17)16-12-18-20(21-13-16)23-19(22-18)11-6-14-4-2-3-5-14/h7-10,12-14H,2-6,11H2,1H3,(H,21,22,23)
InChIKeyJIAFDGGUOJLAMC-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.15
Rot. Bonds5

About 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23026110) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23026110
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3nc(CCC4CCCC4)[nH]c3c2)cc1
InChIInChI=1S/C20H23N3O2S/c1-26(24,25)17-9-7-15(8-10-17)16-12-18-20(21-13-16)23-19(22-18)11-6-14-4-2-3-5-14/h7-10,12-14H,2-6,11H2,1H3,(H,21,22,23)
InChIKeyJIAFDGGUOJLAMC-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (CID 23026110) is 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is CS(=O)(=O)c1ccc(-c2cnc3nc(CCC4CCCC4)[nH]c3c2)cc1.
What is the InChIKey of 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is JIAFDGGUOJLAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-26(24,25)17-9-7-15(8-10-17)16-12-18-20(21-13-16)23-19(22-18)11-6-14-4-2-3-5-14/h7-10,12-14H,2-6,11H2,1H3,(H,21,22,23).
What are the key properties of 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 369.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23026110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).