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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)

C78H62F10N12O8 — CID 159988020

IUPAC2-(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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-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.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)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/2C20H16F3N3O2.C19H13F4N3O2.C19H17N3O2/c2*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;1-11-6-15(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;1-13-5-6-15(21-11-13)9-19(23)18-10-17(8-14(2)22-18)24-16-4-3-7-20-12-16/h2*3-8,10-11H,9H2,1-2H3;2-7,9-10H,8H2,1H3;3-8,10-12H,9H2,1-2H3
InChIKeyOGOULMNCBSDNBR-UHFFFAOYSA-N
MW1485.41 g/mol
LogP17.71
Rot. Bonds20

About 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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-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-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) (PubChem CID 159988020) has the molecular formula C78H62F10N12O8 and a molecular weight of 1485.41 g/mol. Its IUPAC name is 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-pyridin-3-yloxy-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-(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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
PubChem CID159988020
Molecular FormulaC78H62F10N12O8
Molecular Weight1485.41 g/mol
Exact Mass1484.47
IUPAC Name2-(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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-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.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)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/2C20H16F3N3O2.C19H13F4N3O2.C19H17N3O2/c2*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;1-11-6-15(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;1-13-5-6-15(21-11-13)9-19(23)18-10-17(8-14(2)22-18)24-16-4-3-7-20-12-16/h2*3-8,10-11H,9H2,1-2H3;2-7,9-10H,8H2,1H3;3-8,10-12H,9H2,1-2H3
InChIKeyOGOULMNCBSDNBR-UHFFFAOYSA-N
XLogP17.71
TPSA259.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001485.41
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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-pyridin-3-yloxy-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-(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-pyridin-3-yloxy-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-(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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) (CID 159988020) is 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-pyridin-3-yloxy-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-(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-pyridin-3-yloxy-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-(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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-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.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)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-(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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)?
The InChIKey is OGOULMNCBSDNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16F3N3O2.C19H13F4N3O2.C19H17N3O2/c2*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;1-11-6-15(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;1-13-5-6-15(21-11-13)9-19(23)18-10-17(8-14(2)22-18)24-16-4-3-7-20-12-16/h2*3-8,10-11H,9H2,1-2H3;2-7,9-10H,8H2,1H3;3-8,10-12H,9H2,1-2H3.
What are the key properties of 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-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-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-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-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 1485.41 g/mol, XLogP of 17.71, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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-pyridin-3-yloxy-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 159988020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).