About 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 159244562) has the molecular formula C123H120Cl5F15N36O17S5
and a molecular weight of 2997.12 g/mol. Its IUPAC name is 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (CID 159244562) is 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is CC(=O)N1CCN(c2cc(C(=O)CC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)CC1.CC(CC(=O)c1cc(N2CCN(C(=O)C3CC3)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(N2CCN(C(=O)CCO)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(N2CCN(C(=O)CN)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(N2CCN(C(=O)CO)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KUNDWIWVROXGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N7O3S.C25H25ClF3N7O4S.C24H24ClF3N8O3S.C24H23ClF3N7O4S.C24H23ClF3N7O3S/c1-14(24-32-12-20(41-24)23(39)35-21-9-16(26(28,29)30)17(27)11-31-21)8-19(38)18-10-22(34-13-33-18)36-4-6-37(7-5-36)25(40)15-2-3-15;1-14(24-31-12-19(41-24)23(40)34-20-9-15(25(27,28)29)16(26)11-30-20)8-18(38)17-10-21(33-13-32-17)35-3-5-36(6-4-35)22(39)2-7-37;1-13(6-17(37)16-8-20(33-12-32-16)35-2-4-36(5-3-35)21(38)9-29)23-31-11-18(40-23)22(39)34-19-7-14(24(26,27)28)15(25)10-30-19;1-13(6-17(37)16-8-20(32-12-31-16)34-2-4-35(5-3-34)21(38)11-36)23-30-10-18(40-23)22(39)33-19-7-14(24(26,27)28)15(25)9-29-19;1-13(7-18(37)17-9-21(32-12-31-17)35-5-3-34(4-6-35)14(2)36)23-30-11-19(39-23)22(38)33-20-8-15(24(26,27)28)16(25)10-29-20/h9-15H,2-8H2,1H3,(H,31,35,39);9-14,37H,2-8H2,1H3,(H,30,34,40);7-8,10-13H,2-6,9,29H2,1H3,(H,30,34,39);7-10,12-13,36H,2-6,11H2,1H3,(H,29,33,39);8-13H,3-7H2,1-2H3,(H,29,33,38).
What are the key properties of 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 2997.12 g/mol, XLogP of 19.15, 40 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-[4-(2-aminoacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159244562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).