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

C14H13N3O2S — CID 5353

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IUPAC2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyXMFCOYRWYYXZMY-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.37
Rot. Bonds3

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

2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 5353) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID5353
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyXMFCOYRWYYXZMY-UHFFFAOYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tenatoprazole
CID 636411
Isomazole
CID 55690
2-[[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
CID 9948797
Isomazole Hydrochloride
CID 55689
2-(2,4-Dimethoxyphenyl)-3H-imidazo(4,5-b)pyridine
CID 156890
1H-Purine, 8-(2-methoxy-4-(methylsulfinyl)phenyl)-
CID 3059918
6-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538766
6-(3-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538768
6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538770
9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 3086676
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine (CID 5353) is 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine is COc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is XMFCOYRWYYXZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine?
2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 287.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 5353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).