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

C76H60F9N13O8 — CID 159850089

IUPAC2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
SMILESCc1cc(Oc2ccc(C(F)(F)F)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1cc(Oc2cnc(C)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3cc(F)ccn3)c2)cn1
InChIInChI=1S/C20H16F3N3O2.C19H13F4N3O2.C19H16FN3O2.C18H15FN4O2/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;1-11-6-15(28-14-2-3-18(25-10-14)19(21,22)23)9-16(26-11)17(27)8-13-7-12(20)4-5-24-13;1-12-3-4-16(11-22-12)25-17-7-13(2)23-18(10-17)19(24)9-15-8-14(20)5-6-21-15;1-11-5-15(25-16-9-21-12(2)22-10-16)8-17(23-11)18(24)7-14-6-13(19)3-4-20-14/h3-7,9-11H,8H2,1-2H3;2-7,9-10H,8H2,1H3;3-8,10-11H,9H2,1-2H3;3-6,8-10H,7H2,1-2H3
InChIKeyNPUYNKTXJUDVHK-UHFFFAOYSA-N
MW1454.38 g/mol
LogP16.37
Rot. Bonds20

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

2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone (PubChem CID 159850089) has the molecular formula C76H60F9N13O8 and a molecular weight of 1454.38 g/mol. Its IUPAC name is 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
PubChem CID159850089
Molecular FormulaC76H60F9N13O8
Molecular Weight1454.38 g/mol
Exact Mass1453.45
IUPAC Name2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
SMILESCc1cc(Oc2ccc(C(F)(F)F)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1cc(Oc2cnc(C)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3cc(F)ccn3)c2)cn1
InChIInChI=1S/C20H16F3N3O2.C19H13F4N3O2.C19H16FN3O2.C18H15FN4O2/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;1-11-6-15(28-14-2-3-18(25-10-14)19(21,22)23)9-16(26-11)17(27)8-13-7-12(20)4-5-24-13;1-12-3-4-16(11-22-12)25-17-7-13(2)23-18(10-17)19(24)9-15-8-14(20)5-6-21-15;1-11-5-15(25-16-9-21-12(2)22-10-16)8-17(23-11)18(24)7-14-6-13(19)3-4-20-14/h3-7,9-11H,8H2,1-2H3;2-7,9-10H,8H2,1H3;3-8,10-11H,9H2,1-2H3;3-6,8-10H,7H2,1-2H3
InChIKeyNPUYNKTXJUDVHK-UHFFFAOYSA-N
XLogP16.37
TPSA272.77 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.38
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;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-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
The IUPAC name of 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone (CID 159850089) is 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
The canonical SMILES for 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone is Cc1cc(Oc2ccc(C(F)(F)F)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1cc(Oc2cnc(C)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3cc(F)ccn3)c2)cn1.
What is the InChIKey of 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
The InChIKey is NPUYNKTXJUDVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2.C19H13F4N3O2.C19H16FN3O2.C18H15FN4O2/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;1-11-6-15(28-14-2-3-18(25-10-14)19(21,22)23)9-16(26-11)17(27)8-13-7-12(20)4-5-24-13;1-12-3-4-16(11-22-12)25-17-7-13(2)23-18(10-17)19(24)9-15-8-14(20)5-6-21-15;1-11-5-15(25-16-9-21-12(2)22-10-16)8-17(23-11)18(24)7-14-6-13(19)3-4-20-14/h3-7,9-11H,8H2,1-2H3;2-7,9-10H,8H2,1H3;3-8,10-11H,9H2,1-2H3;3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone has a molecular weight of 1454.38 g/mol, XLogP of 16.37, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 159850089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).