5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)

C79H61F10N13O8 — CID 158418251

IUPAC5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
SMILESCc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)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/3C20H16F3N3O2.C19H13FN4O2/c1-12-3-4-14(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;2*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;1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15/h3-7,9-11H,8H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;2-6,8,10-11H,7H2,1H3
InChIKeyHAEBVEJOLGIXAV-UHFFFAOYSA-N
MW1510.42 g/mol
LogP17.58
Rot. Bonds20

About 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)

5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) (PubChem CID 158418251) has the molecular formula C79H61F10N13O8 and a molecular weight of 1510.42 g/mol. Its IUPAC name is 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone).

Molecular Properties

Compound Name5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
PubChem CID158418251
Molecular FormulaC79H61F10N13O8
Molecular Weight1510.42 g/mol
Exact Mass1509.46
IUPAC Name5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
SMILESCc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)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/3C20H16F3N3O2.C19H13FN4O2/c1-12-3-4-14(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;2*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;1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15/h3-7,9-11H,8H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;2-6,8,10-11H,7H2,1H3
InChIKeyHAEBVEJOLGIXAV-UHFFFAOYSA-N
XLogP17.58
TPSA283.67 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.42
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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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Launch Full Analysis

Related Compounds

4-[[6-[2-[6-[4-(2,4-Difluorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile
CID 58073265
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
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
2-Cycloheptyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123965770
4-[[6-[2-(2,4-Difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile;ethane
CID 144928327
2-(4-Fluoro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
CID 146796300
1-[6-Methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 146988708

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) (CID 158418251) is 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone) is Cc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3ccc(C(F)(F)F)nc3)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 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)?
The InChIKey is HAEBVEJOLGIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H16F3N3O2.C19H13FN4O2/c1-12-3-4-14(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;2*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;1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15/h3-7,9-11H,8H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;2-6,8,10-11H,7H2,1H3.
What are the key properties of 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)?
5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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 1510.42 g/mol, XLogP of 17.58, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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 158418251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).