2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone

C80H72F2N14O8 — CID 159938840

About 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone

2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 159938840) has the molecular formula C80H72F2N14O8 and a molecular weight of 1395.54 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone
• PubChem CID: 159938840
• Molecular Formula: C80H72F2N14O8
• Molecular Weight: 1395.54 g/mol
• Exact Mass: 1394.56
• IUPAC Name: 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone
• SMILES: C#Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(CC)n2)nc1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2cccc(C)n2)n1
• InChI: InChI=1S/C21H16FN3O2.C20H18FN3O2.C20H20N4O2.C19H18N4O2/c1-3-14-5-6-17(24-11-14)9-21(26)20-10-18(8-16(4-2)25-20)27-19-7-15(22)12-23-13-19;1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-4-15-7-17(26-18-10-21-12-22-11-18)9-19(24-15)20(25)8-16-6-5-13(2)14(3)23-16;1-3-14-7-16(25-17-10-20-12-21-11-17)9-18(23-14)19(24)8-15-6-4-5-13(2)22-15/h1,5-8,10-13H,4,9H2,2H3;4-8,10-12H,3,9H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;4-7,9-12H,3,8H2,1-2H3
• InChIKey: OAPMGBHOHWFTDO-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 285.66 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.54
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone (CID 159938840) is 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone.

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

The canonical SMILES for 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone is C#Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(CC)n2)nc1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2cccc(C)n2)n1.

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

The InChIKey is OAPMGBHOHWFTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2.C20H18FN3O2.C20H20N4O2.C19H18N4O2/c1-3-14-5-6-17(24-11-14)9-21(26)20-10-18(8-16(4-2)25-20)27-19-7-15(22)12-23-13-19;1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-4-15-7-17(26-18-10-21-12-22-11-18)9-19(24-15)20(25)8-16-6-5-13(2)14(3)23-16;1-3-14-7-16(25-17-10-20-12-21-11-17)9-18(23-14)19(24)8-15-6-4-5-13(2)22-15/h1,5-8,10-13H,4,9H2,2H3;4-8,10-12H,3,9H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;4-7,9-12H,3,8H2,1-2H3.

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

2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 1395.54 g/mol, XLogP of 14.89, 24 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 159938840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).