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

C93H78F6N18O10 — CID 162083708

IUPACbis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
InChIInChI=1S/C20H18FN3O2.C19H16FN3O2.2C18H14F2N4O2.C18H16N4O2/c1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-12-4-3-5-15(22-12)8-19(24)18-9-16(6-13(2)23-18)25-17-7-14(20)10-21-11-17;2*1-11-2-3-12(23-7-11)4-17(25)15-5-13(6-16(24-15)18(19)20)26-14-8-21-10-22-9-14;1-12-3-4-14(21-8-12)6-18(23)17-7-15(5-13(2)22-17)24-16-9-19-11-20-10-16/h4-8,10-12H,3,9H2,1-2H3;3-7,9-11H,8H2,1-2H3;2*2-3,5-10,18H,4H2,1H3;3-5,7-11H,6H2,1-2H3
InChIKeyZCRGQDRQKQEBRH-UHFFFAOYSA-N
MW1721.75 g/mol
LogP18.51
Rot. Bonds28

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

bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 162083708) has the molecular formula C93H78F6N18O10 and a molecular weight of 1721.75 g/mol. Its IUPAC name is bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Namebis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID162083708
Molecular FormulaC93H78F6N18O10
Molecular Weight1721.75 g/mol
Exact Mass1720.61
IUPAC Namebis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
InChIInChI=1S/C20H18FN3O2.C19H16FN3O2.2C18H14F2N4O2.C18H16N4O2/c1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-12-4-3-5-15(22-12)8-19(24)18-9-16(6-13(2)23-18)25-17-7-14(20)10-21-11-17;2*1-11-2-3-12(23-7-11)4-17(25)15-5-13(6-16(24-15)18(19)20)26-14-8-21-10-22-9-14;1-12-3-4-14(21-8-12)6-18(23)17-7-15(5-13(2)22-17)24-16-9-19-11-20-10-16/h4-8,10-12H,3,9H2,1-2H3;3-7,9-11H,8H2,1-2H3;2*2-3,5-10,18H,4H2,1H3;3-5,7-11H,6H2,1-2H3
InChIKeyZCRGQDRQKQEBRH-UHFFFAOYSA-N
XLogP18.51
TPSA363.52 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001721.75
LogP ≤ 518.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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

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Launch Full Analysis

Related Compounds

1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
CID 158496788
2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-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-(6-methyl-2-pyridinyl)ethanone
CID 159938840
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158795728
bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437394
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 149081483
2-(5-fluoro-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 157270549
5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
CID 157085610
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
2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone
CID 157358964
6-[2-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-oxoethyl]pyridine-3-carbonitrile
CID 161413591
2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437395

Frequently Asked Questions

What is the IUPAC name of bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 162083708) is bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C(F)F)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1.
What is the InChIKey of bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is ZCRGQDRQKQEBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2.C19H16FN3O2.2C18H14F2N4O2.C18H16N4O2/c1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-12-4-3-5-15(22-12)8-19(24)18-9-16(6-13(2)23-18)25-17-7-14(20)10-21-11-17;2*1-11-2-3-12(23-7-11)4-17(25)15-5-13(6-16(24-15)18(19)20)26-14-8-21-10-22-9-14;1-12-3-4-14(21-8-12)6-18(23)17-7-15(5-13(2)22-17)24-16-9-19-11-20-10-16/h4-8,10-12H,3,9H2,1-2H3;3-7,9-11H,8H2,1-2H3;2*2-3,5-10,18H,4H2,1H3;3-5,7-11H,6H2,1-2H3.
What are the key properties of bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 1721.75 g/mol, XLogP of 18.51, 28 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 162083708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).