2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)

C100H87F9N16O10 — CID 160680528

IUPAC2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
SMILESCCc1cccc(CC(=O)c2cc(Oc3ccc(C)nc3)cc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)n1
InChIInChI=1S/C21H21N3O2.3C20H16F3N3O2.C19H18N4O2/c1-4-16-6-5-7-17(24-16)11-21(25)20-12-19(10-15(3)23-20)26-18-9-8-14(2)22-13-18;1-12-3-4-14(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;2*1-12-4-3-5-14(25-12)9-18(27)17-10-16(8-13(2)26-17)28-15-6-7-19(24-11-15)20(21,22)23;1-12-4-5-15(22-9-12)7-19(24)18-8-16(6-13(2)23-18)25-17-10-20-14(3)21-11-17/h5-10,12-13H,4,11H2,1-3H3;3-7,9-11H,8H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;4-6,8-11H,7H2,1-3H3
InChIKeyROBUNKZQLKILAD-UHFFFAOYSA-N
MW1843.88 g/mol
LogP21.85
Rot. Bonds26

About 2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)

2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) (PubChem CID 160680528) has the molecular formula C100H87F9N16O10 and a molecular weight of 1843.88 g/mol. Its IUPAC name is 2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-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-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
PubChem CID160680528
Molecular FormulaC100H87F9N16O10
Molecular Weight1843.88 g/mol
Exact Mass1842.66
IUPAC Name2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
SMILESCCc1cccc(CC(=O)c2cc(Oc3ccc(C)nc3)cc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)n1
InChIInChI=1S/C21H21N3O2.3C20H16F3N3O2.C19H18N4O2/c1-4-16-6-5-7-17(24-16)11-21(25)20-12-19(10-15(3)23-20)26-18-9-8-14(2)22-13-18;1-12-3-4-14(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;2*1-12-4-3-5-14(25-12)9-18(27)17-10-16(8-13(2)26-17)28-15-6-7-19(24-11-15)20(21,22)23;1-12-4-5-15(22-9-12)7-19(24)18-8-16(6-13(2)23-18)25-17-10-20-14(3)21-11-17/h5-10,12-13H,4,11H2,1-3H3;3-7,9-11H,8H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;4-6,8-11H,7H2,1-3H3
InChIKeyROBUNKZQLKILAD-UHFFFAOYSA-N
XLogP21.85
TPSA337.74 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001843.88
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-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-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-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-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) (CID 160680528) is 2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-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-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-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-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) is CCc1cccc(CC(=O)c2cc(Oc3ccc(C)nc3)cc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)n1.
What is the InChIKey of 2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)?
The InChIKey is ROBUNKZQLKILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.3C20H16F3N3O2.C19H18N4O2/c1-4-16-6-5-7-17(24-16)11-21(25)20-12-19(10-15(3)23-20)26-18-9-8-14(2)22-13-18;1-12-3-4-14(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;2*1-12-4-3-5-14(25-12)9-18(27)17-10-16(8-13(2)26-17)28-15-6-7-19(24-11-15)20(21,22)23;1-12-4-5-15(22-9-12)7-19(24)18-8-16(6-13(2)23-18)25-17-10-20-14(3)21-11-17/h5-10,12-13H,4,11H2,1-3H3;3-7,9-11H,8H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;4-6,8-11H,7H2,1-3H3.
What are the key properties of 2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)?
2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) has a molecular weight of 1843.88 g/mol, XLogP of 21.85, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) is sourced from PubChem (CID 160680528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).