2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone

C78H63F4N15O8 — CID 159034433

IUPAC2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
SMILESCCc1cccc(CC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1.Cc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(C#N)c3)cc(C)n2)nc1
InChIInChI=1S/C20H16F3N3O2.C20H16N4O2.C19H13FN4O2.C19H18N4O2/c1-12-3-4-14(24-10-12)8-18(27)17-9-16(7-13(2)26-17)28-15-5-6-19(25-11-15)20(21,22)23;1-13-3-4-16(23-10-13)7-20(25)19-8-17(5-14(2)24-19)26-18-6-15(9-21)11-22-12-18;1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15;1-3-14-5-4-6-15(23-14)8-19(24)18-9-16(7-13(2)22-18)25-17-10-20-12-21-11-17/h3-7,9-11H,8H2,1-2H3;3-6,8,10-12H,7H2,1-2H3;2-6,8,10-11H,7H2,1H3;4-7,9-12H,3,8H2,1-2H3
InChIKeyJVHASNMLWUDXLG-UHFFFAOYSA-N
MW1414.45 g/mol
LogP15.07
Rot. Bonds21

About 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone

2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone (PubChem CID 159034433) has the molecular formula C78H63F4N15O8 and a molecular weight of 1414.45 g/mol. Its IUPAC name is 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
PubChem CID159034433
Molecular FormulaC78H63F4N15O8
Molecular Weight1414.45 g/mol
Exact Mass1413.49
IUPAC Name2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
SMILESCCc1cccc(CC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1.Cc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(C#N)c3)cc(C)n2)nc1
InChIInChI=1S/C20H16F3N3O2.C20H16N4O2.C19H13FN4O2.C19H18N4O2/c1-12-3-4-14(24-10-12)8-18(27)17-9-16(7-13(2)26-17)28-15-5-6-19(25-11-15)20(21,22)23;1-13-3-4-16(23-10-13)7-20(25)19-8-17(5-14(2)24-19)26-18-6-15(9-21)11-22-12-18;1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15;1-3-14-5-4-6-15(23-14)8-19(24)18-9-16(7-13(2)22-18)25-17-10-20-12-21-11-17/h3-7,9-11H,8H2,1-2H3;3-6,8,10-12H,7H2,1-2H3;2-6,8,10-11H,7H2,1H3;4-7,9-12H,3,8H2,1-2H3
InChIKeyJVHASNMLWUDXLG-UHFFFAOYSA-N
XLogP15.07
TPSA320.35 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001414.45
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
The IUPAC name of 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone (CID 159034433) is 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
The canonical SMILES for 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone is CCc1cccc(CC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1.Cc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(C#N)c3)cc(C)n2)nc1.
What is the InChIKey of 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
The InChIKey is JVHASNMLWUDXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2.C20H16N4O2.C19H13FN4O2.C19H18N4O2/c1-12-3-4-14(24-10-12)8-18(27)17-9-16(7-13(2)26-17)28-15-5-6-19(25-11-15)20(21,22)23;1-13-3-4-16(23-10-13)7-20(25)19-8-17(5-14(2)24-19)26-18-6-15(9-21)11-22-12-18;1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15;1-3-14-5-4-6-15(23-14)8-19(24)18-9-16(7-13(2)22-18)25-17-10-20-12-21-11-17/h3-7,9-11H,8H2,1-2H3;3-6,8,10-12H,7H2,1-2H3;2-6,8,10-11H,7H2,1H3;4-7,9-12H,3,8H2,1-2H3.
What are the key properties of 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone has a molecular weight of 1414.45 g/mol, XLogP of 15.07, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;5-[[2-methyl-6-[2-(5-methyl-2-pyridinyl)acetyl]-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 159034433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).