2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine

C26H21N3O4S — CID 59243010

IUPAC2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(COc2cc(Oc3ccccc3)cc(-c3nc4ncccc4[nH]3)c2)cc1
InChIInChI=1S/C26H21N3O4S/c1-34(30,31)23-11-9-18(10-12-23)17-32-21-14-19(25-28-24-8-5-13-27-26(24)29-25)15-22(16-21)33-20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,27,28,29)
InChIKeyMSOPNIVPMDOGHK-UHFFFAOYSA-N
MW471.54 g/mol
LogP5.40
Rot. Bonds7

About 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine

2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 59243010) has the molecular formula C26H21N3O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID59243010
Molecular FormulaC26H21N3O4S
Molecular Weight471.54 g/mol
Exact Mass471.13
IUPAC Name2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1ccc(COc2cc(Oc3ccccc3)cc(-c3nc4ncccc4[nH]3)c2)cc1
InChIInChI=1S/C26H21N3O4S/c1-34(30,31)23-11-9-18(10-12-23)17-32-21-14-19(25-28-24-8-5-13-27-26(24)29-25)15-22(16-21)33-20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,27,28,29)
InChIKeyMSOPNIVPMDOGHK-UHFFFAOYSA-N
XLogP5.40
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine (CID 59243010) is 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine is CS(=O)(=O)c1ccc(COc2cc(Oc3ccccc3)cc(-c3nc4ncccc4[nH]3)c2)cc1.
What is the InChIKey of 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is MSOPNIVPMDOGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4S/c1-34(30,31)23-11-9-18(10-12-23)17-32-21-14-19(25-28-24-8-5-13-27-26(24)29-25)15-22(16-21)33-20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,27,28,29).
What are the key properties of 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine?
2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 471.54 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 59243010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).