2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

C20H15N3O4S — CID 23025632

IUPAC2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)cc1
InChIInChI=1S/C20H15N3O4S/c1-28(24,25)15-5-2-12(3-6-15)14-8-16-20(21-10-14)23-19(22-16)13-4-7-17-18(9-13)27-11-26-17/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyWEGNPETVWLJHOR-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.42
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23025632) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23025632
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)cc1
InChIInChI=1S/C20H15N3O4S/c1-28(24,25)15-5-2-12(3-6-15)14-8-16-20(21-10-14)23-19(22-16)13-4-7-17-18(9-13)27-11-26-17/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyWEGNPETVWLJHOR-UHFFFAOYSA-N
XLogP3.42
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795462
2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025557
6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 23025813
2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026110
6-(1,3-benzodioxol-5-yl)-1-(4-methylsulfonylphenyl)benzimidazole
CID 126669483
2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 6622478
[3-(1,3-benzodioxol-5-yl)-1-(hydroxymethyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol
CID 10763628
1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylsulfonylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678732
5-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 81137552
2-(1,3-benzodioxol-5-yl)-6-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 118251196
2,5-bis(1,3-benzodioxol-5-yl)-1H-imidazole;molecular hydrogen
CID 143969673
2-(1,3-benzodioxol-5-yl)-1H-imidazole-4,5-dicarboxylic acid
CID 102108395

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (CID 23025632) is 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is CS(=O)(=O)c1ccc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is WEGNPETVWLJHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c1-28(24,25)15-5-2-12(3-6-15)14-8-16-20(21-10-14)23-19(22-16)13-4-7-17-18(9-13)27-11-26-17/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 393.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).