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

C89H74Cl4F4N20O5S2 — CID 161235518

IUPAC1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(Cl)cn2)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1cccc(CC(=O)c2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H14ClF3N4O.C19H17FN4O.C18H14Cl2N4O.C17H15ClN4OS.C16H14N4OS/c1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;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;1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)6-16)18(25)7-15-3-2-13(19)8-23-15;1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;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/h2-6,8-11H,7H2,1H3;3-8,10-12H,9H2,1-2H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3;2-7,9-11H,8H2,1H3
InChIKeyUZHUYVUKBQLBIA-UHFFFAOYSA-N
MW1785.64 g/mol
LogP19.84
Rot. Bonds25

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

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 161235518) has the molecular formula C89H74Cl4F4N20O5S2 and a molecular weight of 1785.64 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID161235518
Molecular FormulaC89H74Cl4F4N20O5S2
Molecular Weight1785.64 g/mol
Exact Mass1782.43
IUPAC Name1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(Cl)cn2)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1cccc(CC(=O)c2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H14ClF3N4O.C19H17FN4O.C18H14Cl2N4O.C17H15ClN4OS.C16H14N4OS/c1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;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;1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)6-16)18(25)7-15-3-2-13(19)8-23-15;1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;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/h2-6,8-11H,7H2,1H3;3-8,10-12H,9H2,1-2H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3;2-7,9-11H,8H2,1H3
InChIKeyUZHUYVUKBQLBIA-UHFFFAOYSA-N
XLogP19.84
TPSA294.90 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001785.64
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone (CID 161235518) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone is CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(Cl)cn2)c1.CN(c1cncnc1)c1cccc(C(=O)Cc2nccs2)c1.Cc1cccc(CC(=O)c2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1.
What is the InChIKey of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is UZHUYVUKBQLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O.C19H17FN4O.C18H14Cl2N4O.C17H15ClN4OS.C16H14N4OS/c1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;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;1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)6-16)18(25)7-15-3-2-13(19)8-23-15;1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;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/h2-6,8-11H,7H2,1H3;3-8,10-12H,9H2,1-2H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3;2-7,9-11H,8H2,1H3.
What are the key properties of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone?
1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 1785.64 g/mol, XLogP of 19.84, 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-(5-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone;1-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 161235518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).