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

C86H76ClFN18O5S4 — CID 157342539

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

2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 157342539) has the molecular formula C86H76ClFN18O5S4 and a molecular weight of 1624.39 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
• PubChem CID: 157342539
• Molecular Formula: C86H76ClFN18O5S4
• Molecular Weight: 1624.39 g/mol
• Exact Mass: 1622.48
• IUPAC Name: 2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
• SMILES: CN(c1cccnc1)c1cccc(C(=O)Cc2nccs2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2cncc(Cl)c2)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1csc(CC(=O)c2cccc(N(C)c3cccnc3)c2)n1.Cc1csc(CC(=O)c2cccc(N(C)c3cncnc3)c2)n1
• InChI: InChI=1S/C18H14ClFN4O.C18H17N3OS.C17H16N4OS.C17H15N3OS.C16H14N4OS/c1-24(17-9-22-11-23-10-17)16-5-13(4-15(20)6-16)18(25)3-12-2-14(19)8-21-7-12;1-13-12-23-18(20-13)10-17(22)14-5-3-6-15(9-14)21(2)16-7-4-8-19-11-16;1-12-10-23-17(20-12)7-16(22)13-4-3-5-14(6-13)21(2)15-8-18-11-19-9-15;1-20(15-6-3-7-18-12-15)14-5-2-4-13(10-14)16(21)11-17-19-8-9-22-17;1-20(14-9-17-11-18-10-14)13-4-2-3-12(7-13)15(21)8-16-19-5-6-22-16/h2,4-11H,3H2,1H3;3-9,11-12H,10H2,1-2H3;3-6,8-11H,7H2,1-2H3;2-10,12H,11H2,1H3;2-7,9-11H,8H2,1H3
• InChIKey: BGOKLKWNZHSPHF-UHFFFAOYSA-N
• XLogP: 18.19
• TPSA: 269.12 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.39
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (CID 157342539) is 2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.

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

The canonical SMILES for 2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone is CN(c1cccnc1)c1cccc(C(=O)Cc2nccs2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2cncc(Cl)c2)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1csc(CC(=O)c2cccc(N(C)c3cccnc3)c2)n1.Cc1csc(CC(=O)c2cccc(N(C)c3cncnc3)c2)n1.

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

The InChIKey is BGOKLKWNZHSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O.C18H17N3OS.C17H16N4OS.C17H15N3OS.C16H14N4OS/c1-24(17-9-22-11-23-10-17)16-5-13(4-15(20)6-16)18(25)3-12-2-14(19)8-21-7-12;1-13-12-23-18(20-13)10-17(22)14-5-3-6-15(9-14)21(2)16-7-4-8-19-11-16;1-12-10-23-17(20-12)7-16(22)13-4-3-5-14(6-13)21(2)15-8-18-11-19-9-15;1-20(15-6-3-7-18-12-15)14-5-2-4-13(10-14)16(21)11-17-19-8-9-22-17;1-20(14-9-17-11-18-10-14)13-4-2-3-12(7-13)15(21)8-16-19-5-6-22-16/h2,4-11H,3H2,1H3;3-9,11-12H,10H2,1-2H3;3-6,8-11H,7H2,1-2H3;2-10,12H,11H2,1H3;2-7,9-11H,8H2,1H3.

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

2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 1624.39 g/mol, XLogP of 18.19, 25 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-3-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyridin-3-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 157342539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).