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

C54H43F4N11O6 — CID 123597482

IUPAC2-[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
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
InChIInChI=1S/2C18H14F2N4O2.C18H15N3O2/c1-11(19)18-15(20)3-2-12(24-18)6-17(25)16-7-13(4-5-23-16)26-14-8-21-10-22-9-14;1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16/h2-5,7-11H,6H2,1H3;2-6,8-11H,7H2,1H3;2-9,11-12H,10H2,1H3
InChIKeyVAEVKXVNACTZEF-UHFFFAOYSA-N
MW1018.00 g/mol
LogP10.65
Rot. Bonds17

About 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

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 (PubChem CID 123597482) has the molecular formula C54H43F4N11O6 and a molecular weight of 1018.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID123597482
Molecular FormulaC54H43F4N11O6
Molecular Weight1018.00 g/mol
Exact Mass1017.33
IUPAC Name2-[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
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
InChIInChI=1S/2C18H14F2N4O2.C18H15N3O2/c1-11(19)18-15(20)3-2-12(24-18)6-17(25)16-7-13(4-5-23-16)26-14-8-21-10-22-9-14;1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16/h2-5,7-11H,6H2,1H3;2-6,8-11H,7H2,1H3;2-9,11-12H,10H2,1H3
InChIKeyVAEVKXVNACTZEF-UHFFFAOYSA-N
XLogP10.65
TPSA220.69 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.00
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

[4-Fluoro-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385649
2-Pyridinyl[4-[[3-(5-pyrimidinyl)-2-pyrazinyl]oxy]phenyl]methanone
CID 59374342
2-(4,5-Dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318691
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone
CID 58318695
2-(5,6-Dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318701
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318703
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318706
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318716
2-(5-Fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318719
2-(4-Ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318725
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 58318754
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 58318767

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.
What is the InChIKey of 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?
The InChIKey is VAEVKXVNACTZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14F2N4O2.C18H15N3O2/c1-11(19)18-15(20)3-2-12(24-18)6-17(25)16-7-13(4-5-23-16)26-14-8-21-10-22-9-14;1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16/h2-5,7-11H,6H2,1H3;2-6,8-11H,7H2,1H3;2-9,11-12H,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1018.00 g/mol, XLogP of 10.65, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123597482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).