About tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 160738144) has the molecular formula C134H112Cl7F21N40O18S6
and a molecular weight of 3410.16 g/mol. Its IUPAC name is tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 160738144) is tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(Nc2ccc(C(F)(F)F)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(OCCCN(C)C)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1ncnc(Nc2cccnc2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCC(=O)c1ncnc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)c1O.COc1cc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.
What is the InChIKey of tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RVFKQCMZRNMENO-AASBAUKVSA-N. The full InChI is InChI=1S/C27H27ClF3N7O4S.C23H15ClF6N8O2S.C22H15Cl2F3N8O2S.C22H23ClF3N7O3S.C22H18ClF3N4O4S.C18H14ClF3N6O3S/c1-14(24-33-12-20(43-24)23(40)37-21-9-16(27(29,30)31)17(28)11-32-21)36-22(39)19-10-18(34-13-35-19)15-5-7-38(8-6-15)25(41)42-26(2,3)4;1-10(21-33-8-15(41-21)20(40)38-17-4-12(22(25,26)27)13(24)7-32-17)36-19(39)14-5-18(35-9-34-14)37-11-2-3-16(31-6-11)23(28,29)30;1-10(33-20(37)17-16(24)18(32-9-31-17)34-11-3-2-4-28-6-11)21-30-8-14(38-21)19(36)35-15-5-12(22(25,26)27)13(23)7-29-15;1-12(31-19(34)15-8-18(30-11-29-15)36-6-4-5-33(2)3)21-28-10-16(37-21)20(35)32-17-7-13(22(24,25)26)14(23)9-27-17;1-3-14(31)17-19(33)18(29-9-28-17)15(32)6-10(2)21-27-8-16(35-21)20(34)30-11-4-5-13(23)12(7-11)22(24,25)26;1-8(27-15(29)11-4-14(31-2)26-7-25-11)17-24-6-12(32-17)16(30)28-13-3-9(18(20,21)22)10(19)5-23-13/h5,9-14H,6-8H2,1-4H3,(H,36,39)(H,32,37,40);2-10H,1H3,(H,36,39)(H,32,38,40)(H,34,35,37);2-10H,1H3,(H,33,37)(H,29,35,36)(H,31,32,34);7-12H,4-6H2,1-3H3,(H,31,34)(H,27,32,35);4-5,7-10,33H,3,6H2,1-2H3,(H,30,34);3-8H,1-2H3,(H,27,29)(H,23,28,30)/t;;;;10-;/m....0./s1.
What are the key properties of tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 3410.16 g/mol, XLogP of 30.56, 44 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethylcarbamoyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-[1-[[5-chloro-6-(pyridin-3-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2S)-4-(5-hydroxy-6-propanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[3-(dimethylamino)propoxy]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-methoxypyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 160738144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).