2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine

C28H26N2O3S — CID 143554276

IUPAC2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine
SMILESCS(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(Oc5ccccc5)cc4)C3)cn2)cc1
InChIInChI=1S/C28H26N2O3S/c1-34(31)27-14-9-22(10-15-27)28-16-13-25(17-29-28)33-26-19-30(20-26)18-21-7-11-24(12-8-21)32-23-5-3-2-4-6-23/h2-17,26H,18-20H2,1H3
InChIKeyOMXLKILMCYPWOW-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.54
Rot. Bonds8

About 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine

2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine (PubChem CID 143554276) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine
PubChem CID143554276
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine
SMILESCS(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(Oc5ccccc5)cc4)C3)cn2)cc1
InChIInChI=1S/C28H26N2O3S/c1-34(31)27-14-9-22(10-15-27)28-16-13-25(17-29-28)33-26-19-30(20-26)18-21-7-11-24(12-8-21)32-23-5-3-2-4-6-23/h2-17,26H,18-20H2,1H3
InChIKeyOMXLKILMCYPWOW-UHFFFAOYSA-N
XLogP5.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine?
The IUPAC name of 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine (CID 143554276) is 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine.
What is the SMILES notation for 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine?
The canonical SMILES for 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine is CS(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(Oc5ccccc5)cc4)C3)cn2)cc1.
What is the InChIKey of 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine?
The InChIKey is OMXLKILMCYPWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-34(31)27-14-9-22(10-15-27)28-16-13-25(17-29-28)33-26-19-30(20-26)18-21-7-11-24(12-8-21)32-23-5-3-2-4-6-23/h2-17,26H,18-20H2,1H3.
What are the key properties of 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine?
2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine has a molecular weight of 470.59 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfinylphenyl)-5-[1-[(4-phenoxyphenyl)methyl]azetidin-3-yl]oxypyridine is sourced from PubChem (CID 143554276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).