2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone

C80H71F5N12O8 — CID 157255302

IUPAC2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
SMILESCCc1cccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(C)(F)F)cn3)c2)cn1
InChIInChI=1S/C21H19F2N3O2.C20H16F3N3O2.C20H19N3O2.C19H17N3O2/c1-13-4-7-17(12-24-13)28-18-8-14(2)26-19(10-18)20(27)9-16-6-5-15(11-25-16)21(3,22)23;1-12-3-4-14(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;1-3-15-6-4-7-16(23-15)11-20(24)19-12-18(10-14(2)22-19)25-17-8-5-9-21-13-17;1-13-5-6-15(21-11-13)9-19(23)18-10-17(8-14(2)22-18)24-16-4-3-7-20-12-16/h4-8,10-12H,9H2,1-3H3;3-7,9-11H,8H2,1-2H3;4-10,12-13H,3,11H2,1-2H3;3-8,10-12H,9H2,1-2H3
InChIKeyAWUYNNODEIWNTI-UHFFFAOYSA-N
MW1423.51 g/mol
LogP17.21
Rot. Bonds22

About 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone

2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone (PubChem CID 157255302) has the molecular formula C80H71F5N12O8 and a molecular weight of 1423.51 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
PubChem CID157255302
Molecular FormulaC80H71F5N12O8
Molecular Weight1423.51 g/mol
Exact Mass1422.54
IUPAC Name2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
SMILESCCc1cccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(C)(F)F)cn3)c2)cn1
InChIInChI=1S/C21H19F2N3O2.C20H16F3N3O2.C20H19N3O2.C19H17N3O2/c1-13-4-7-17(12-24-13)28-18-8-14(2)26-19(10-18)20(27)9-16-6-5-15(11-25-16)21(3,22)23;1-12-3-4-14(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;1-3-15-6-4-7-16(23-15)11-20(24)19-12-18(10-14(2)22-19)25-17-8-5-9-21-13-17;1-13-5-6-15(21-11-13)9-19(23)18-10-17(8-14(2)22-18)24-16-4-3-7-20-12-16/h4-8,10-12H,9H2,1-3H3;3-7,9-11H,8H2,1-2H3;4-10,12-13H,3,11H2,1-2H3;3-8,10-12H,9H2,1-2H3
InChIKeyAWUYNNODEIWNTI-UHFFFAOYSA-N
XLogP17.21
TPSA259.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms105
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.51
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-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-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-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-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone (CID 157255302) is 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-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-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-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-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone is CCc1cccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(C)(F)F)cn3)c2)cn1.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
The InChIKey is AWUYNNODEIWNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2.C20H16F3N3O2.C20H19N3O2.C19H17N3O2/c1-13-4-7-17(12-24-13)28-18-8-14(2)26-19(10-18)20(27)9-16-6-5-15(11-25-16)21(3,22)23;1-12-3-4-14(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;1-3-15-6-4-7-16(23-15)11-20(24)19-12-18(10-14(2)22-19)25-17-8-5-9-21-13-17;1-13-5-6-15(21-11-13)9-19(23)18-10-17(8-14(2)22-18)24-16-4-3-7-20-12-16/h4-8,10-12H,9H2,1-3H3;3-7,9-11H,8H2,1-2H3;4-10,12-13H,3,11H2,1-2H3;3-8,10-12H,9H2,1-2H3.
What are the key properties of 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone?
2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-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 1423.51 g/mol, XLogP of 17.21, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-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 157255302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).