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

C15H15N3O3S — CID 14762725

IUPAC6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cnc2nc(-c3ccc(S(C)=O)cc3OC)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c1-20-9-6-12-15(16-8-9)18-14(17-12)11-5-4-10(22(3)19)7-13(11)21-2/h4-8H,1-3H3,(H,16,17,18)
InChIKeyIPCQRXAANJQFOM-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.38
Rot. Bonds4

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

6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 14762725) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID14762725
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cnc2nc(-c3ccc(S(C)=O)cc3OC)[nH]c2c1
InChIInChI=1S/C15H15N3O3S/c1-20-9-6-12-15(16-8-9)18-14(17-12)11-5-4-10(22(3)19)7-13(11)21-2/h4-8H,1-3H3,(H,16,17,18)
InChIKeyIPCQRXAANJQFOM-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 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine (CID 14762725) is 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine is COc1cnc2nc(-c3ccc(S(C)=O)cc3OC)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is IPCQRXAANJQFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-9-6-12-15(16-8-9)18-14(17-12)11-5-4-10(22(3)19)7-13(11)21-2/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
6-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 6-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 14762725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).