2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine

C22H23ClFN3O — CID 146279898

IUPAC2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine
SMILESCc1cc(CCc2ncc(F)cc2C)cnc1CCOc1ccc(Cl)c(C)n1
InChIInChI=1S/C22H23ClFN3O/c1-14-10-17(4-6-20-15(2)11-18(24)13-26-20)12-25-21(14)8-9-28-22-7-5-19(23)16(3)27-22/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKeySGOQJEFZIDWSCI-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.00
Rot. Bonds7

About 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine

2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine (PubChem CID 146279898) has the molecular formula C22H23ClFN3O and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine.

Molecular Properties

Compound Name2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine
PubChem CID146279898
Molecular FormulaC22H23ClFN3O
Molecular Weight399.90 g/mol
Exact Mass399.15
IUPAC Name2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine
SMILESCc1cc(CCc2ncc(F)cc2C)cnc1CCOc1ccc(Cl)c(C)n1
InChIInChI=1S/C22H23ClFN3O/c1-14-10-17(4-6-20-15(2)11-18(24)13-26-20)12-25-21(14)8-9-28-22-7-5-19(23)16(3)27-22/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKeySGOQJEFZIDWSCI-UHFFFAOYSA-N
XLogP5.00
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine with MolForge

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Related Compounds

2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
US10155760, Example 147
CID 118429884
2-[(6-Chloropyridin-3-yl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 1475141
5-(4-Chloro-phenyl)-2-[2-(2-pyrrolidin-1-yl-ethoxy)-pyridin-5-yl-ethynyl]-pyridine
CID 10024145
13-Chloro-2-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10094317
4-(4-Chlorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15981916
4-(3-Chlorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983838
5-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57395279
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702
US10155760, Example 158
CID 118420068
US10155760, Example 193
CID 118429814
(2S)-1-[[5-(2-chloro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429890

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine?
The IUPAC name of 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine (CID 146279898) is 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine.
What is the SMILES notation for 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine?
The canonical SMILES for 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine is Cc1cc(CCc2ncc(F)cc2C)cnc1CCOc1ccc(Cl)c(C)n1.
What is the InChIKey of 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine?
The InChIKey is SGOQJEFZIDWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O/c1-14-10-17(4-6-20-15(2)11-18(24)13-26-20)12-25-21(14)8-9-28-22-7-5-19(23)16(3)27-22/h5,7,10-13H,4,6,8-9H2,1-3H3.
What are the key properties of 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine?
2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine has a molecular weight of 399.90 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-5-methyl-3-pyridinyl]ethyl]-5-fluoro-3-methylpyridine is sourced from PubChem (CID 146279898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).