About 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 160963868) has the molecular formula C133H115Cl6F18N36O19PS6
and a molecular weight of 3299.67 g/mol. Its IUPAC name is 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide (CID 160963868) is 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide is C[C@@H](CC(=O)c1cc(N2CCC(O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCC(OP(=O)(O)O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CC[C@H](O)C2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(Oc2cccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ccc(NC(=O)c2cnc(C(C)CC(=O)c3ncnc(N)c3Cl)s2)cc1C(F)(F)F.Cc1cn(-c2cc(C(=O)C[C@H](C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)cn1.
What is the InChIKey of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is SXIZKRCHHIKRDA-UJLUYPDKSA-N. The full InChI is InChI=1S/C23H23ClF3N6O6PS.C23H22ClF3N6O3S.C23H16ClF3N6O3S.C22H17ClF3N7O2S.C22H20ClF3N6O3S.C20H17ClF3N5O2S/c1-12(22-29-10-18(41-22)21(35)32-19-7-14(23(25,26)27)15(24)9-28-19)6-17(34)16-8-20(31-11-30-16)33-4-2-13(3-5-33)39-40(36,37)38;1-12(6-17(35)16-8-20(31-11-30-16)33-4-2-13(34)3-5-33)22-29-10-18(37-22)21(36)32-19-7-14(23(25,26)27)15(24)9-28-19;1-12(5-17(34)16-7-20(32-11-31-16)36-13-3-2-4-28-8-13)22-30-10-18(37-22)21(35)33-19-6-14(23(25,26)27)15(24)9-29-19;1-11(3-16(34)15-5-19(30-9-29-15)33-8-12(2)31-10-33)21-28-7-17(36-21)20(35)32-18-4-13(22(24,25)26)14(23)6-27-18;1-11(4-16(34)15-6-19(30-10-29-15)32-3-2-12(33)9-32)21-28-8-17(36-21)20(35)31-18-5-13(22(24,25)26)14(23)7-27-18;1-9-3-4-11(6-12(9)20(22,23)24)29-18(31)14-7-26-19(32-14)10(2)5-13(30)16-15(21)17(25)28-8-27-16/h7-13H,2-6H2,1H3,(H,28,32,35)(H2,36,37,38);7-13,34H,2-6H2,1H3,(H,28,32,36);2-4,6-12H,5H2,1H3,(H,29,33,35);4-11H,3H2,1-2H3,(H,27,32,35);5-8,10-12,33H,2-4,9H2,1H3,(H,27,31,35);3-4,6-8,10H,5H2,1-2H3,(H,29,31)(H2,25,27,28)/t3*12-;11-;11-,12-;/m00000./s1.
What are the key properties of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 3299.67 g/mol, XLogP of 29.56, 44 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;[1-[6-[(3S)-3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]piperidin-4-yl] dihydrogen phosphate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-yloxypyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 160963868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).