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

C90H71Cl3F3N15O10S — CID 157166613

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone (PubChem CID 157166613) has the molecular formula C90H71Cl3F3N15O10S and a molecular weight of 1718.07 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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone
• PubChem CID: 157166613
• Molecular Formula: C90H71Cl3F3N15O10S
• Molecular Weight: 1718.07 g/mol
• Exact Mass: 1715.42
• 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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone
• SMILES: CC(F)(F)c1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1ccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)nc1C.Cc1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1cncc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.Cc1nsc(CC(=O)c2cccc(Oc3cccnc3)c2)n1
• InChI: InChI=1S/C19H14ClF2N3O2.C19H16FN3O2.2C18H14ClN3O2.C16H13N3O2S/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;1-12-3-4-16(23-13(12)2)8-19(24)14-5-15(20)7-17(6-14)25-18-9-21-11-22-10-18;1-12-2-13(8-20-7-12)3-18(23)14-4-15(19)6-16(5-14)24-17-9-21-11-22-10-17;1-12-3-2-4-15(22-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17;1-11-18-16(22-19-11)9-15(20)12-4-2-5-13(8-12)21-14-6-3-7-17-10-14/h2-7,9-11H,8H2,1H3;3-7,9-11H,8H2,1-2H3;2,4-11H,3H2,1H3;2-7,9-11H,8H2,1H3;2-8,10H,9H2,1H3
• InChIKey: AMZHHVOVJGGKHS-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 324.85 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1718.07
LogP ≤ 5	20.26
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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone (CID 157166613) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1ccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)nc1C.Cc1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1cncc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.Cc1nsc(CC(=O)c2cccc(Oc3cccnc3)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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

The InChIKey is AMZHHVOVJGGKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2.C19H16FN3O2.2C18H14ClN3O2.C16H13N3O2S/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;1-12-3-4-16(23-13(12)2)8-19(24)14-5-15(20)7-17(6-14)25-18-9-21-11-22-10-18;1-12-2-13(8-20-7-12)3-18(23)14-4-15(19)6-16(5-14)24-17-9-21-11-22-10-17;1-12-3-2-4-15(22-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17;1-11-18-16(22-19-11)9-15(20)12-4-2-5-13(8-12)21-14-6-3-7-17-10-14/h2-7,9-11H,8H2,1H3;3-7,9-11H,8H2,1-2H3;2,4-11H,3H2,1H3;2-7,9-11H,8H2,1H3;2-8,10H,9H2,1H3.

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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 1718.07 g/mol, XLogP of 20.26, 26 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-(5-methyl-3-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 157166613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).