2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone

C86H70F6N16O8S4 — CID 161117012

About 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone

2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone (PubChem CID 161117012) has the molecular formula C86H70F6N16O8S4 and a molecular weight of 1697.87 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone
• PubChem CID: 161117012
• Molecular Formula: C86H70F6N16O8S4
• Molecular Weight: 1697.87 g/mol
• Exact Mass: 1696.43
• IUPAC Name: 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone
• SMILES: CC(F)(F)c1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2nccs2)c1.Cc1cc(Oc2cncnc2)cc(C(=O)Cc2ncc(C)s2)c1.Cc1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1F
• InChI: InChI=1S/C19H14F3N3O2.C17H14F2N4OS.C17H15N3O2S.C17H14N2O2S.C16H13FN4OS/c1-19(21,22)13-2-3-25-15(6-13)8-18(26)12-4-14(20)7-16(5-12)27-17-9-23-11-24-10-17;1-10-17(19)25-16(22-10)6-15(24)11-3-12(18)5-13(4-11)23(2)14-7-20-9-21-8-14;1-11-3-13(16(21)6-17-20-7-12(2)23-17)5-14(4-11)22-15-8-18-10-19-9-15;1-12-11-22-17(19-12)9-16(20)13-4-2-5-14(8-13)21-15-6-3-7-18-10-15;1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-7,9-11H,8H2,1H3;3-5,7-9H,6H2,1-2H3;3-5,7-10H,6H2,1-2H3;2-8,10-11H,9H2,1H3;2-6,8-10H,7H2,1H3
• InChIKey: UKLIRAIYGIJLEC-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 299.98 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1697.87
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

The IUPAC name of 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone (CID 161117012) is 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone.

What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

The canonical SMILES for 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone is CC(F)(F)c1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2nccs2)c1.Cc1cc(Oc2cncnc2)cc(C(=O)Cc2ncc(C)s2)c1.Cc1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cc1nc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1F.

What is the InChIKey of 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

The InChIKey is UKLIRAIYGIJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C17H14F2N4OS.C17H15N3O2S.C17H14N2O2S.C16H13FN4OS/c1-19(21,22)13-2-3-25-15(6-13)8-18(26)12-4-14(20)7-16(5-12)27-17-9-23-11-24-10-17;1-10-17(19)25-16(22-10)6-15(24)11-3-12(18)5-13(4-11)23(2)14-7-20-9-21-8-14;1-11-3-13(16(21)6-17-20-7-12(2)23-17)5-14(4-11)22-15-8-18-10-19-9-15;1-12-11-22-17(19-12)9-16(20)13-4-2-5-14(8-13)21-15-6-3-7-18-10-15;1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16/h2-7,9-11H,8H2,1H3;3-5,7-9H,6H2,1-2H3;3-5,7-10H,6H2,1-2H3;2-8,10-11H,9H2,1H3;2-6,8-10H,7H2,1H3.

What are the key properties of 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 1697.87 g/mol, XLogP of 19.15, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 161117012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).