1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile

C80H66ClF6N13O8 — CID 159549054

IUPAC1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile
SMILESCc1cc(Oc2cccnc2)cc(C(=O)Cc2cc(C#N)ccn2)n1.Cc1cc(Oc2cccnc2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(C)(F)F)cn3)c2)cn1
InChIInChI=1S/C21H19F2N3O2.C20H16ClF2N3O2.C20H17F2N3O2.C19H14N4O2/c1-13-4-7-17(12-24-13)28-18-8-14(2)26-19(10-18)20(27)9-16-6-5-15(11-25-16)21(3,22)23;1-12-5-16(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;1-13-8-17(27-16-4-3-7-23-12-16)10-18(25-13)19(26)9-15-6-5-14(11-24-15)20(2,21)22;1-13-7-17(25-16-3-2-5-21-12-16)10-18(23-13)19(24)9-15-8-14(11-20)4-6-22-15/h4-8,10-12H,9H2,1-3H3;3-6,8-11H,7H2,1-2H3;3-8,10-12H,9H2,1-2H3;2-8,10,12H,9H2,1H3
InChIKeyMFDVLMHUJMYIRS-UHFFFAOYSA-N
MW1486.93 g/mol
LogP17.76
Rot. Bonds23

About 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile (PubChem CID 159549054) has the molecular formula C80H66ClF6N13O8 and a molecular weight of 1486.93 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;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile
PubChem CID159549054
Molecular FormulaC80H66ClF6N13O8
Molecular Weight1486.93 g/mol
Exact Mass1485.48
IUPAC Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile
SMILESCc1cc(Oc2cccnc2)cc(C(=O)Cc2cc(C#N)ccn2)n1.Cc1cc(Oc2cccnc2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(C)(F)F)cn3)c2)cn1
InChIInChI=1S/C21H19F2N3O2.C20H16ClF2N3O2.C20H17F2N3O2.C19H14N4O2/c1-13-4-7-17(12-24-13)28-18-8-14(2)26-19(10-18)20(27)9-16-6-5-15(11-25-16)21(3,22)23;1-12-5-16(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;1-13-8-17(27-16-4-3-7-23-12-16)10-18(25-13)19(26)9-15-6-5-14(11-24-15)20(2,21)22;1-13-7-17(25-16-3-2-5-21-12-16)10-18(23-13)19(24)9-15-8-14(11-20)4-6-22-15/h4-8,10-12H,9H2,1-3H3;3-6,8-11H,7H2,1-2H3;3-8,10-12H,9H2,1-2H3;2-8,10,12H,9H2,1H3
InChIKeyMFDVLMHUJMYIRS-UHFFFAOYSA-N
XLogP17.76
TPSA283.67 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001486.93
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[4-[(5-chloro-3-pyridinyl)oxy]-6-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-pyridinyl]ethyl]-4-[(5-cyano-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 124011484
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-[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
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
5-[[2-[2-(4-Fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
CID 157265619
1-[4-[(5-Chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
CID 157382157
2-(4-Fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;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 157887083
2-(6-Chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
CID 158331131

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;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile?
The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile (CID 159549054) is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile.
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;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile?
The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile is Cc1cc(Oc2cccnc2)cc(C(=O)Cc2cc(C#N)ccn2)n1.Cc1cc(Oc2cccnc2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(C(C)(F)F)cn2)n1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(C)(F)F)cn3)c2)cn1.
What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile?
The InChIKey is MFDVLMHUJMYIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2.C20H16ClF2N3O2.C20H17F2N3O2.C19H14N4O2/c1-13-4-7-17(12-24-13)28-18-8-14(2)26-19(10-18)20(27)9-16-6-5-15(11-25-16)21(3,22)23;1-12-5-16(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;1-13-8-17(27-16-4-3-7-23-12-16)10-18(25-13)19(26)9-15-6-5-14(11-24-15)20(2,21)22;1-13-7-17(25-16-3-2-5-21-12-16)10-18(23-13)19(24)9-15-8-14(11-20)4-6-22-15/h4-8,10-12H,9H2,1-3H3;3-6,8-11H,7H2,1-2H3;3-8,10-12H,9H2,1-2H3;2-8,10,12H,9H2,1H3.
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;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile?
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-[5-(1,1-difluoroethyl)-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile has a molecular weight of 1486.93 g/mol, XLogP of 17.76, 23 rotatable bonds, 0 hydrogen bond donors, and 21 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;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[2-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)-2-oxoethyl]pyridine-4-carbonitrile is sourced from PubChem (CID 159549054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).