About 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 157084284) has the molecular formula C121H103Cl8F15N30O17S6
and a molecular weight of 3010.34 g/mol. Its IUPAC name is 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide (CID 157084284) is 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(C(=O)CCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(C(=O)CCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCC(=O)CNc1ncnc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.CCCCC(=O)c1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.Cc1cc(NC(=O)c2cnc(C(C)NC(=O)c3cc(C(=O)NC(C)c4ncc(C(=O)Cc5ccc(Cl)c(C(F)(F)F)c5)s4)ncn3)s2)ncc1Cl.
What is the InChIKey of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ADXJFQQCWMPLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25Cl2F3N8O4S2.C23H21ClF3N5O3S.C22H19Cl2F3N6O3S.C22H18Cl2F3N5O4S.C22H20ClF3N6O3S/c1-14-6-26(38-10-20(14)34)45-29(49)25-12-40-31(51-25)16(3)44-28(48)22-9-21(41-13-42-22)27(47)43-15(2)30-39-11-24(50-30)23(46)8-17-4-5-19(33)18(7-17)32(35,36)37;1-3-4-5-17(33)15-8-16(31-11-30-15)18(34)6-12(2)22-29-10-19(36-22)21(35)32-20-7-13(23(25,26)27)14(24)9-28-20;1-3-11(34)6-29-19-17(24)18(31-9-32-19)14(35)4-10(2)21-30-8-15(37-21)20(36)33-16-5-12(22(25,26)27)13(23)7-28-16;1-10(5-14(35)19-17(24)18(30-9-31-19)13(34)3-2-4-33)21-29-8-15(37-21)20(36)32-16-6-11(22(25,26)27)12(23)7-28-16;1-11(5-17(34)15-7-14(30-10-31-15)16(33)3-2-4-27)21-29-9-18(36-21)20(35)32-19-6-12(22(24,25)26)13(23)8-28-19/h4-7,9-13,15-16H,8H2,1-3H3,(H,43,47)(H,44,48)(H,38,45,49);7-12H,3-6H2,1-2H3,(H,28,32,35);5,7-10H,3-4,6H2,1-2H3,(H,28,33,36)(H,29,31,32);6-10,33H,2-5H2,1H3,(H,28,32,36);6-11H,2-5,27H2,1H3,(H,28,32,35).
What are the key properties of 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 3010.34 g/mol, XLogP of 28.54, 51 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)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-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157084284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).