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

C79H68Cl3F3N12O8 — CID 158472583

IUPAC1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCCc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
InChIInChI=1S/C20H16ClF2N3O2.2C20H18ClN3O2.C19H16FN3O2/c1-12-5-16(28-17-6-14(21)10-24-11-17)8-18(26-12)19(27)7-15-4-3-13(9-25-15)20(2,22)23;1-12-4-5-16(24-14(12)3)8-20(25)19-9-17(6-13(2)23-19)26-18-7-15(21)10-22-11-18;1-3-15-5-4-6-16(24-15)9-20(25)19-10-17(7-13(2)23-19)26-18-8-14(21)11-22-12-18;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/h3-6,8-11H,7H2,1-2H3;4-7,9-11H,8H2,1-3H3;4-8,10-12H,3,9H2,1-2H3;3-7,9-11H,8H2,1-2H3
InChIKeyHGNLTCMHPJVCER-UHFFFAOYSA-N
MW1476.84 g/mol
LogP18.29
Rot. Bonds22

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

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 158472583) has the molecular formula C79H68Cl3F3N12O8 and a molecular weight of 1476.84 g/mol. Its IUPAC name is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
PubChem CID158472583
Molecular FormulaC79H68Cl3F3N12O8
Molecular Weight1476.84 g/mol
Exact Mass1474.43
IUPAC Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCCc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
InChIInChI=1S/C20H16ClF2N3O2.2C20H18ClN3O2.C19H16FN3O2/c1-12-5-16(28-17-6-14(21)10-24-11-17)8-18(26-12)19(27)7-15-4-3-13(9-25-15)20(2,22)23;1-12-4-5-16(24-14(12)3)8-20(25)19-9-17(6-13(2)23-19)26-18-7-15(21)10-22-11-18;1-3-15-5-4-6-16(24-15)9-20(25)19-10-17(7-13(2)23-19)26-18-8-14(21)11-22-12-18;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/h3-6,8-11H,7H2,1-2H3;4-7,9-11H,8H2,1-3H3;4-8,10-12H,3,9H2,1-2H3;3-7,9-11H,8H2,1-2H3
InChIKeyHGNLTCMHPJVCER-UHFFFAOYSA-N
XLogP18.29
TPSA259.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.84
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Launch Full Analysis

Related Compounds

1-(5-((5-Chloropyridin-2-yl)oxy)pyridin-2-yl)-3-(2,4-difluorophenyl)propan-1-one
CID 118431394
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
1-[6-Methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 146988708
2-(6-Chloro-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 147073769
1-[6-Ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 147471881
1-[4-[(5-Chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 149008699
1-[4-[(5-Chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-fluoro-2-pyridinyl)ethanone
CID 152891984
2-(5-Chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
CID 153247146
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
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 157332267
1-[4-[(5-Fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 157346110
1-[4-[(5-Chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
CID 157382157

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (CID 158472583) is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is CCc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1.
What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is HGNLTCMHPJVCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O2.2C20H18ClN3O2.C19H16FN3O2/c1-12-5-16(28-17-6-14(21)10-24-11-17)8-18(26-12)19(27)7-15-4-3-13(9-25-15)20(2,22)23;1-12-4-5-16(24-14(12)3)8-20(25)19-9-17(6-13(2)23-19)26-18-7-15(21)10-22-11-18;1-3-15-5-4-6-16(24-15)9-20(25)19-10-17(7-13(2)23-19)26-18-8-14(21)11-22-12-18;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/h3-6,8-11H,7H2,1-2H3;4-7,9-11H,8H2,1-3H3;4-8,10-12H,3,9H2,1-2H3;3-7,9-11H,8H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 1476.84 g/mol, XLogP of 18.29, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 158472583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).