1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)

C81H74F4N12O8 — CID 158496788

About 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)

1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone) (PubChem CID 158496788) has the molecular formula C81H74F4N12O8 and a molecular weight of 1419.55 g/mol. Its IUPAC name is 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone).

Molecular Properties

• Compound Name: 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
• PubChem CID: 158496788
• Molecular Formula: C81H74F4N12O8
• Molecular Weight: 1419.55 g/mol
• Exact Mass: 1418.57
• IUPAC Name: 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
• SMILES: CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(CC)n2)n1
• InChI: InChI=1S/C21H20FN3O2.3C20H18FN3O2/c1-3-15-6-5-7-17(24-15)10-21(26)20-11-18(9-16(4-2)25-20)27-19-8-14(22)12-23-13-19;3*1-3-15-7-17(26-18-6-14(21)11-22-12-18)9-19(24-15)20(25)8-16-5-4-13(2)10-23-16/h5-9,11-13H,3-4,10H2,1-2H3;3*4-7,9-12H,3,8H2,1-2H3
• InChIKey: HJJUKQUDFKMXKL-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 259.88 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.55
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)?

The IUPAC name of 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone) (CID 158496788) is 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone).

What is the SMILES notation for 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)?

The canonical SMILES for 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone) is CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(CC)n2)n1.

What is the InChIKey of 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)?

The InChIKey is HJJUKQUDFKMXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2.3C20H18FN3O2/c1-3-15-6-5-7-17(24-15)10-21(26)20-11-18(9-16(4-2)25-20)27-19-8-14(22)12-23-13-19;3*1-3-15-7-17(26-18-6-14(21)11-22-12-18)9-19(24-15)20(25)8-16-5-4-13(2)10-23-16/h5-9,11-13H,3-4,10H2,1-2H3;3*4-7,9-12H,3,8H2,1-2H3.

What are the key properties of 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)?

1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone) has a molecular weight of 1419.55 g/mol, XLogP of 16.65, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone) is sourced from PubChem (CID 158496788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).