1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile

C79H66ClF4N13O8 — CID 162112670

About 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile (PubChem CID 162112670) has the molecular formula C79H66ClF4N13O8 and a molecular weight of 1436.92 g/mol. Its IUPAC name is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
• PubChem CID: 162112670
• Molecular Formula: C79H66ClF4N13O8
• Molecular Weight: 1436.92 g/mol
• Exact Mass: 1435.48
• IUPAC Name: 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
• SMILES: CCc1cccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)n1.CCc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1.Cc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2ccc(F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1
• InChI: InChI=1S/C20H16ClF2N3O2.C20H18FN3O2.C20H19N3O2.C19H13FN4O2/c1-12-5-16(28-17-6-14(21)10-24-11-17)8-18(26-12)19(27)7-15-4-3-13(9-25-15)20(2,22)23;1-3-15-5-4-6-16(24-15)9-20(25)19-10-17(7-13(2)23-19)26-18-8-14(21)11-22-12-18;1-3-15-6-4-7-16(23-15)11-20(24)19-12-18(10-14(2)22-19)25-17-8-5-9-21-13-17;1-12-4-16(26-17-5-13(8-21)9-22-11-17)7-18(24-12)19(25)6-15-3-2-14(20)10-23-15/h3-6,8-11H,7H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;4-10,12-13H,3,11H2,1-2H3;2-5,7,9-11H,6H2,1H3
• InChIKey: ZGIXJMNVOISKBX-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 283.67 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.92
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?

The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile (CID 162112670) is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile.

What is the SMILES notation for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?

The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile is CCc1cccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)n1.CCc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1.Cc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2ccc(F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.

What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?

The InChIKey is ZGIXJMNVOISKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O2.C20H18FN3O2.C20H19N3O2.C19H13FN4O2/c1-12-5-16(28-17-6-14(21)10-24-11-17)8-18(26-12)19(27)7-15-4-3-13(9-25-15)20(2,22)23;1-3-15-5-4-6-16(24-15)9-20(25)19-10-17(7-13(2)23-19)26-18-8-14(21)11-22-12-18;1-3-15-6-4-7-16(23-15)11-20(24)19-12-18(10-14(2)22-19)25-17-8-5-9-21-13-17;1-12-4-16(26-17-5-13(8-21)9-22-11-17)7-18(24-12)19(25)6-15-3-2-14(20)10-23-15/h3-6,8-11H,7H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;4-10,12-13H,3,11H2,1-2H3;2-5,7,9-11H,6H2,1H3.

What are the key properties of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile has a molecular weight of 1436.92 g/mol, XLogP of 16.63, 23 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 162112670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).