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

C83H76F6N12O8 — CID 161141188

IUPAC2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cc(C)c(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1
InChIInChI=1S/C21H18F3N3O2.2C21H20FN3O2.C20H18FN3O2/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;1-4-16-7-18(27-19-6-15(22)11-23-12-19)9-20(25-16)21(26)8-17-5-13(2)14(3)10-24-17;1-4-16-8-18(27-19-7-15(22)11-23-12-19)10-20(25-16)21(26)9-17-6-5-13(2)14(3)24-17;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/h4-7,9-12H,3,8H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;5-8,10-12H,4,9H2,1-3H3;4-8,10-12H,3,9H2,1-2H3
InChIKeyUNLUHJGMLZZUFM-UHFFFAOYSA-N
MW1483.58 g/mol
LogP17.82
Rot. Bonds25

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

2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 161141188) has the molecular formula C83H76F6N12O8 and a molecular weight of 1483.58 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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
PubChem CID161141188
Molecular FormulaC83H76F6N12O8
Molecular Weight1483.58 g/mol
Exact Mass1482.58
IUPAC Name2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cc(C)c(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1
InChIInChI=1S/C21H18F3N3O2.2C21H20FN3O2.C20H18FN3O2/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;1-4-16-7-18(27-19-6-15(22)11-23-12-19)9-20(25-16)21(26)8-17-5-13(2)14(3)10-24-17;1-4-16-8-18(27-19-7-15(22)11-23-12-19)10-20(25-16)21(26)9-17-6-5-13(2)14(3)24-17;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/h4-7,9-12H,3,8H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;5-8,10-12H,4,9H2,1-3H3;4-8,10-12H,3,9H2,1-2H3
InChIKeyUNLUHJGMLZZUFM-UHFFFAOYSA-N
XLogP17.82
TPSA259.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.58
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Launch Full Analysis

Related Compounds

2-(3,4-Difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349231
2-[3-(1,1-Difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349246
2-(3-Fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349257
2-(3-Fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349288
1-(4-Pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58349306
2-(5-Fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349311
7-Pyridin-4-yl-1-[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]heptan-1-one
CID 58456835
2-[1-(Pyridin-4-ylmethyl)piperidin-4-yl]-1-[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone
CID 58456936
3,5,12,14-Tetramethoxy-19,36-bis(trifluoromethyl)-31-oxa-4,13-diaza-21,24,34-triazoniahexacyclo[32.4.0.02,7.010,15.016,21.024,29]octatriaconta-1(34),2,4,6,10,12,14,16(21),17,19,24,26,28,35,37-pentadecaen-30-one
CID 123204501
6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-N-[[4-[(5-fluoro-3-pyridinyl)oxy]-6-(methylcarbamoyl)-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 123425195
2-[6-(1,1-Difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 123597482
3,5,12,14-Tetramethoxy-17-methylidene-32-(trifluoromethyl)-16-(4,4,4-trifluoro-3-methylbut-2-enylidene)-20-oxa-4,13-diaza-17,27,30-triazoniapentacyclo[28.4.0.02,7.010,15.022,27]tetratriaconta-1(30),2,4,6,10,12,14,22,24,26,31,33-dodecaen-21-one
CID 123790940

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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (CID 161141188) is 2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cc(C)c(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is UNLUHJGMLZZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2.2C21H20FN3O2.C20H18FN3O2/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;1-4-16-7-18(27-19-6-15(22)11-23-12-19)9-20(25-16)21(26)8-17-5-13(2)14(3)10-24-17;1-4-16-8-18(27-19-7-15(22)11-23-12-19)10-20(25-16)21(26)9-17-6-5-13(2)14(3)24-17;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/h4-7,9-12H,3,8H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;5-8,10-12H,4,9H2,1-3H3;4-8,10-12H,3,9H2,1-2H3.
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-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 1483.58 g/mol, XLogP of 17.82, 25 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-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 161141188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).