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

C17H13N3O3S — CID 23025813

IUPAC6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1cccc(-c2nc3ncc(-c4ccco4)cc3[nH]2)c1
InChIInChI=1S/C17H13N3O3S/c1-24(21,22)13-5-2-4-11(8-13)16-19-14-9-12(10-18-17(14)20-16)15-6-3-7-23-15/h2-10H,1H3,(H,18,19,20)
InChIKeyHCLCZSSVNFISSK-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.29
Rot. Bonds3

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

6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23025813) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23025813
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1cccc(-c2nc3ncc(-c4ccco4)cc3[nH]2)c1
InChIInChI=1S/C17H13N3O3S/c1-24(21,22)13-5-2-4-11(8-13)16-19-14-9-12(10-18-17(14)20-16)15-6-3-7-23-15/h2-10H,1H3,(H,18,19,20)
InChIKeyHCLCZSSVNFISSK-UHFFFAOYSA-N
XLogP3.29
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (CID 23025813) is 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is CS(=O)(=O)c1cccc(-c2nc3ncc(-c4ccco4)cc3[nH]2)c1.
What is the InChIKey of 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is HCLCZSSVNFISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-24(21,22)13-5-2-4-11(8-13)16-19-14-9-12(10-18-17(14)20-16)15-6-3-7-23-15/h2-10H,1H3,(H,18,19,20).
What are the key properties of 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 339.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-(3-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).