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

C80H72F6N14O8 — CID 158685563

IUPAC2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)cn2)n1
InChIInChI=1S/C21H18F3N3O2.C20H18F2N4O2.C20H18FN3O2.C19H18N4O2/c1-3-15-7-17(29-18-6-14(22)11-25-12-18)9-19(27-15)20(28)8-16-5-4-13(10-26-16)21(2,23)24;1-3-14-6-16(28-17-10-23-12-24-11-17)8-18(26-14)19(27)7-15-5-4-13(9-25-15)20(2,21)22;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;1-3-14-6-16(25-17-10-20-12-21-11-17)8-18(23-14)19(24)7-15-5-4-13(2)9-22-15/h4-7,9-12H,3,8H2,1-2H3;4-6,8-12H,3,7H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;4-6,8-12H,3,7H2,1-2H3
InChIKeyIFRNFKLGZUQIME-UHFFFAOYSA-N
MW1471.53 g/mol
LogP16.52
Rot. Bonds26

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

2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone (PubChem CID 158685563) has the molecular formula C80H72F6N14O8 and a molecular weight of 1471.53 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone
PubChem CID158685563
Molecular FormulaC80H72F6N14O8
Molecular Weight1471.53 g/mol
Exact Mass1470.56
IUPAC Name2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)cn2)n1
InChIInChI=1S/C21H18F3N3O2.C20H18F2N4O2.C20H18FN3O2.C19H18N4O2/c1-3-15-7-17(29-18-6-14(22)11-25-12-18)9-19(27-15)20(28)8-16-5-4-13(10-26-16)21(2,23)24;1-3-14-6-16(28-17-10-23-12-24-11-17)8-18(26-14)19(27)7-15-5-4-13(9-25-15)20(2,21)22;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;1-3-14-6-16(25-17-10-20-12-21-11-17)8-18(23-14)19(24)7-15-5-4-13(2)9-22-15/h4-7,9-12H,3,8H2,1-2H3;4-6,8-12H,3,7H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;4-6,8-12H,3,7H2,1-2H3
InChIKeyIFRNFKLGZUQIME-UHFFFAOYSA-N
XLogP16.52
TPSA285.66 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.53
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-Fluoro-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385649
2-Pyridinyl[4-[[3-(5-pyrimidinyl)-2-pyrazinyl]oxy]phenyl]methanone
CID 59374342
2-(4,5-Dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318691
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone
CID 58318695
2-(5,6-Dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318701
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone
CID 58318702
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318703
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318706
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318716
2-(5-Fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318719
2-(4-Ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318725
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 58318754

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone (CID 158685563) is 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone is CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)cn2)n1.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is IFRNFKLGZUQIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2.C20H18F2N4O2.C20H18FN3O2.C19H18N4O2/c1-3-15-7-17(29-18-6-14(22)11-25-12-18)9-19(27-15)20(28)8-16-5-4-13(10-26-16)21(2,23)24;1-3-14-6-16(28-17-10-23-12-24-11-17)8-18(26-14)19(27)7-15-5-4-13(9-25-15)20(2,21)22;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;1-3-14-6-16(25-17-10-20-12-21-11-17)8-18(23-14)19(24)7-15-5-4-13(2)9-22-15/h4-7,9-12H,3,8H2,1-2H3;4-6,8-12H,3,7H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;4-6,8-12H,3,7H2,1-2H3.
What are the key properties of 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone?
2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 1471.53 g/mol, XLogP of 16.52, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-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-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 158685563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).