5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine

C15H15N3O3S — CID 14762721

IUPAC5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3ccc(S(C)=O)cc3OC)nc2n1
InChIInChI=1S/C15H15N3O3S/c1-20-12-8-9(22(3)19)4-5-10(12)14-16-11-6-7-13(21-2)17-15(11)18-14/h4-8H,1-3H3,(H,16,17,18)
InChIKeyHWFHWYOCCBRIPF-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.38
Rot. Bonds4

About 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine

5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 14762721) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID14762721
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3ccc(S(C)=O)cc3OC)nc2n1
InChIInChI=1S/C15H15N3O3S/c1-20-12-8-9(22(3)19)4-5-10(12)14-16-11-6-7-13(21-2)17-15(11)18-14/h4-8H,1-3H3,(H,16,17,18)
InChIKeyHWFHWYOCCBRIPF-UHFFFAOYSA-N
XLogP2.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine (CID 14762721) is 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(-c3ccc(S(C)=O)cc3OC)nc2n1.
What is the InChIKey of 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is HWFHWYOCCBRIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-12-8-9(22(3)19)4-5-10(12)14-16-11-6-7-13(21-2)17-15(11)18-14/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 317.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 14762721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).