1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine

C12H11N3O3S — CID 167946530

IUPAC1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ccc(S(C)(=O)=O)o2)nc2ncccc21
InChIInChI=1S/C12H11N3O3S/c1-15-8-4-3-7-13-11(8)14-12(15)9-5-6-10(18-9)19(2,16)17/h3-7H,1-2H3
InChIKeyZYJHSFXQEDHXLI-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.63
Rot. Bonds2

About 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine

1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine (PubChem CID 167946530) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine
PubChem CID167946530
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ccc(S(C)(=O)=O)o2)nc2ncccc21
InChIInChI=1S/C12H11N3O3S/c1-15-8-4-3-7-13-11(8)14-12(15)9-5-6-10(18-9)19(2,16)17/h3-7H,1-2H3
InChIKeyZYJHSFXQEDHXLI-UHFFFAOYSA-N
XLogP1.63
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine (CID 167946530) is 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine is Cn1c(-c2ccc(S(C)(=O)=O)o2)nc2ncccc21.
What is the InChIKey of 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is ZYJHSFXQEDHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-15-8-4-3-7-13-11(8)14-12(15)9-5-6-10(18-9)19(2,16)17/h3-7H,1-2H3.
What are the key properties of 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine?
1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 277.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 167946530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).