1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C92H74Cl3F6N21O5S — CID 161129429

About 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 161129429) has the molecular formula C92H74Cl3F6N21O5S and a molecular weight of 1806.16 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 161129429
• Molecular Formula: C92H74Cl3F6N21O5S
• Molecular Weight: 1806.16 g/mol
• Exact Mass: 1803.49
• IUPAC Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• SMILES: CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2cc(Cl)ccn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C#N)cn2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2cc(C(F)(F)F)ccn2)c1.Cc1ccnc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(F)cc(N(C)c3cccnc3)c2)n1
• InChI: InChI=1S/C19H14ClN5O.C19H14F4N4O.C18H14Cl2N4O.C18H16FN5O.C18H16FN3OS/c1-25(18-10-22-12-23-11-18)17-5-14(4-15(20)6-17)19(26)7-16-3-2-13(8-21)9-24-16;1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)7-16)18(28)8-15-6-13(2-3-26-15)19(21,22)23;1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)7-16)18(25)8-15-6-13(19)2-3-23-15;1-12-3-4-22-18(23-12)8-17(25)13-5-14(19)7-15(6-13)24(2)16-9-20-11-21-10-16;1-12-11-24-18(21-12)9-17(23)13-6-14(19)8-16(7-13)22(2)15-4-3-5-20-10-15/h2-6,9-12H,7H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3;3-7,9-11H,8H2,1-2H3;3-8,10-11H,9H2,1-2H3
• InChIKey: ULZGPKNMIHNOEV-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 318.69 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.16
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 161129429) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2cc(Cl)ccn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C#N)cn2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2cc(C(F)(F)F)ccn2)c1.Cc1ccnc(CC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(F)cc(N(C)c3cccnc3)c2)n1.

What is the InChIKey of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The InChIKey is ULZGPKNMIHNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O.C19H14F4N4O.C18H14Cl2N4O.C18H16FN5O.C18H16FN3OS/c1-25(18-10-22-12-23-11-18)17-5-14(4-15(20)6-17)19(26)7-16-3-2-13(8-21)9-24-16;1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)7-16)18(28)8-15-6-13(2-3-26-15)19(21,22)23;1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)7-16)18(25)8-15-6-13(19)2-3-23-15;1-12-3-4-22-18(23-12)8-17(25)13-5-14(19)7-15(6-13)24(2)16-9-20-11-21-10-16;1-12-11-24-18(21-12)9-17(23)13-6-14(19)8-16(7-13)22(2)15-4-3-5-20-10-15/h2-6,9-12H,7H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3;3-7,9-11H,8H2,1-2H3;3-8,10-11H,9H2,1-2H3.

What are the key properties of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1806.16 g/mol, XLogP of 19.27, 25 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;6-[2-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 161129429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).