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

C93H76Cl2F5N17O9 — CID 158009374

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

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone (PubChem CID 158009374) has the molecular formula C93H76Cl2F5N17O9 and a molecular weight of 1741.64 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone
• PubChem CID: 158009374
• Molecular Formula: C93H76Cl2F5N17O9
• Molecular Weight: 1741.64 g/mol
• Exact Mass: 1739.53
• IUPAC Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone
• SMILES: CC(F)(F)c1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.COc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)nc1.Cc1ccnc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.Cc1cncc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)c1
• InChI: InChI=1S/C19H17ClN4O.C19H14F3N3O2.C19H17FN4O.C18H14ClN3O2.C18H14FN3O3/c1-13-3-4-16(23-9-13)8-19(25)14-5-15(20)7-17(6-14)24(2)18-10-21-12-22-11-18;1-19(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;1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-12-2-3-22-15(4-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17;1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16/h3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;3,5-12H,4H2,1-2H3;2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3
• InChIKey: FERRIJOQNPDQQL-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 322.10 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1741.64
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone (CID 158009374) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone.

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

The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.COc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1ccc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)nc1.Cc1ccnc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.Cc1cncc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)c1.

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

The InChIKey is FERRIJOQNPDQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O.C19H14F3N3O2.C19H17FN4O.C18H14ClN3O2.C18H14FN3O3/c1-13-3-4-16(23-9-13)8-19(25)14-5-15(20)7-17(6-14)24(2)18-10-21-12-22-11-18;1-19(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;1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-12-2-3-22-15(4-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17;1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16/h3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;3,5-12H,4H2,1-2H3;2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3.

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

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone has a molecular weight of 1741.64 g/mol, XLogP of 19.17, 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-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-2-pyridinyl)ethanone;2-[6-(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-methyl-3-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 158009374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).