1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone

C93H76Cl2F7N17O8S — CID 157264019

About 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 157264019) has the molecular formula C93H76Cl2F7N17O8S and a molecular weight of 1795.70 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone
• PubChem CID: 157264019
• Molecular Formula: C93H76Cl2F7N17O8S
• Molecular Weight: 1795.70 g/mol
• Exact Mass: 1793.50
• IUPAC Name: 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone
• SMILES: CC(F)(F)c1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.CC(F)(F)c1csc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1ccc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)nc1.Cc1ccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)nc1C.Cc1cccc(CC(=O)c2ccc(F)c(N(C)c3cncnc3)c2)n1
• InChI: InChI=1S/C19H14ClF2N3O2.2C19H17FN4O.C19H16FN3O2.C17H12ClF2N3O2S/c1-19(21,22)18-4-2-3-14(25-18)8-17(26)12-5-13(20)7-15(6-12)27-16-9-23-11-24-10-16;1-13-3-4-16(23-9-13)8-19(25)14-5-15(20)7-17(6-14)24(2)18-10-21-12-22-11-18;1-13-4-3-5-15(23-13)9-19(25)14-6-7-17(20)18(8-14)24(2)16-10-21-12-22-11-16;1-12-3-4-16(23-13(12)2)8-19(24)14-5-15(20)7-17(6-14)25-18-9-21-11-22-10-18;1-17(19,20)15-8-26-16(23-15)5-14(24)10-2-11(18)4-12(3-10)25-13-6-21-9-22-7-13/h2-7,9-11H,8H2,1H3;3-7,9-12H,8H2,1-2H3;3-8,10-12H,9H2,1-2H3;3-7,9-11H,8H2,1-2H3;2-4,6-9H,5H2,1H3
• InChIKey: AXUFNIVZQPIQDV-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 312.87 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.70
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone?

The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone (CID 157264019) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone.

What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone?

The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.CC(F)(F)c1csc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1ccc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)nc1.Cc1ccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)nc1C.Cc1cccc(CC(=O)c2ccc(F)c(N(C)c3cncnc3)c2)n1.

What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone?

The InChIKey is AXUFNIVZQPIQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2.2C19H17FN4O.C19H16FN3O2.C17H12ClF2N3O2S/c1-19(21,22)18-4-2-3-14(25-18)8-17(26)12-5-13(20)7-15(6-12)27-16-9-23-11-24-10-16;1-13-3-4-16(23-9-13)8-19(25)14-5-15(20)7-17(6-14)24(2)18-10-21-12-22-11-18;1-13-4-3-5-15(23-13)9-19(25)14-6-7-17(20)18(8-14)24(2)16-10-21-12-22-11-16;1-12-3-4-16(23-13(12)2)8-19(24)14-5-15(20)7-17(6-14)25-18-9-21-11-22-10-18;1-17(19,20)15-8-26-16(23-15)5-14(24)10-2-11(18)4-12(3-10)25-13-6-21-9-22-7-13/h2-7,9-11H,8H2,1H3;3-7,9-12H,8H2,1-2H3;3-8,10-12H,9H2,1-2H3;3-7,9-11H,8H2,1-2H3;2-4,6-9H,5H2,1H3.

What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone?

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 1795.70 g/mol, XLogP of 20.64, 27 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 157264019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).