5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine

C40H33F5N4O6 — CID 135246535

IUPAC5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncc(COCC(F)(F)c3ccc(Oc4ncccc4-c4ccc(F)cc4OC)cn3)cc2-c2ccccc2OC)cn1
InChIInChI=1S/C40H33F5N4O6/c1-50-23-39(42,43)35-14-11-28(21-47-35)55-38-32(29-7-4-5-9-33(29)51-2)17-25(19-49-38)22-53-24-40(44,45)36-15-12-27(20-48-36)54-37-31(8-6-16-46-37)30-13-10-26(41)18-34(30)52-3/h4-21H,22-24H2,1-3H3
InChIKeySEPNPCJJLZASGE-UHFFFAOYSA-N
MW760.72 g/mol
LogP9.39
Rot. Bonds16

About 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine

5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine (PubChem CID 135246535) has the molecular formula C40H33F5N4O6 and a molecular weight of 760.72 g/mol. Its IUPAC name is 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine.

Molecular Properties

Compound Name5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine
PubChem CID135246535
Molecular FormulaC40H33F5N4O6
Molecular Weight760.72 g/mol
Exact Mass760.23
IUPAC Name5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncc(COCC(F)(F)c3ccc(Oc4ncccc4-c4ccc(F)cc4OC)cn3)cc2-c2ccccc2OC)cn1
InChIInChI=1S/C40H33F5N4O6/c1-50-23-39(42,43)35-14-11-28(21-47-35)55-38-32(29-7-4-5-9-33(29)51-2)17-25(19-49-38)22-53-24-40(44,45)36-15-12-27(20-48-36)54-37-31(8-6-16-46-37)30-13-10-26(41)18-34(30)52-3/h4-21H,22-24H2,1-3H3
InChIKeySEPNPCJJLZASGE-UHFFFAOYSA-N
XLogP9.39
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.72
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine?
The IUPAC name of 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine (CID 135246535) is 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine.
What is the SMILES notation for 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine?
The canonical SMILES for 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine is COCC(F)(F)c1ccc(Oc2ncc(COCC(F)(F)c3ccc(Oc4ncccc4-c4ccc(F)cc4OC)cn3)cc2-c2ccccc2OC)cn1.
What is the InChIKey of 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine?
The InChIKey is SEPNPCJJLZASGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33F5N4O6/c1-50-23-39(42,43)35-14-11-28(21-47-35)55-38-32(29-7-4-5-9-33(29)51-2)17-25(19-49-38)22-53-24-40(44,45)36-15-12-27(20-48-36)54-37-31(8-6-16-46-37)30-13-10-26(41)18-34(30)52-3/h4-21H,22-24H2,1-3H3.
What are the key properties of 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine?
5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine has a molecular weight of 760.72 g/mol, XLogP of 9.39, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoro-2-[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-pyridinyl]ethoxy]methyl]-2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-(2-methoxyphenyl)pyridine is sourced from PubChem (CID 135246535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).