(3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one

C236H205Cl7F27N65O25S7 — CID 158106452

IUPAC(3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
SMILESCC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.C[C@@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C4(C)CC4)cc3C2)no1.C[C@@H](CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.C[C@H](CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1ncnc(N)c1Cl)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3cc(N)ncn3)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3cc(N)ncn3)s2)cc1C(F)(F)F.Nc1cc(C(=O)CCc2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)ncn1
InChIInChI=1S/C23H23N5O2.C20H15ClF3N5O2.2C20H22ClN7O2S.C20H18F3N5O3.2C20H16F3N5O2.2C19H15ClF3N5O2S.C19H16F3N5O2S.C18H14ClF3N6O2S.C18H13ClF3N5O2S/c1-13(7-20(29)19-11-22(24)26-12-25-19)21-10-18(28-30-21)17-9-14-8-15(23(2)5-6-23)3-4-16(14)27-17;1-9(4-15(30)18-17(21)19(25)27-8-26-18)13-7-16(31-29-13)14-6-10-5-11(20(22,23)24)2-3-12(10)28-14;1-10(5-13(29)12-6-15(22)26-9-25-12)18-23-8-14(31-18)17(30)28-19-24-7-11(21)16(27-19)20(2,3)4;1-10(5-13(29)12-7-15(22)25-9-24-12)19-23-8-14(31-19)18(30)26-16-6-11(20(2,3)4)17(21)28-27-16;1-10-3-4-12(6-13(10)20(21,22)23)27-19(30)17-7-14(28-31-17)11(2)5-16(29)15-8-18(24)26-9-25-15;1-10(4-17(29)15-8-19(24)26-9-25-15)14-7-18(30-28-14)16-6-11-5-12(20(21,22)23)2-3-13(11)27-16;1-10(4-17(29)16-8-19(24)26-9-25-16)18-7-15(28-30-18)14-6-11-5-12(20(21,22)23)2-3-13(11)27-14;1-9(4-14(29)13-6-16(24)27-8-26-13)18-25-7-15(31-18)17(30)28-10-2-3-12(20)11(5-10)19(21,22)23;1-9(4-14(29)13-6-16(24)27-8-26-13)18-25-7-15(31-18)17(30)28-10-2-3-11(12(20)5-10)19(21,22)23;1-10-2-3-11(6-12(10)19(20,21)22)27-18(29)15-8-24-17(30-15)5-4-14(28)13-7-16(23)26-9-25-13;1-8(2-12(29)11-4-14(23)27-7-26-11)17-25-6-13(31-17)16(30)28-15-3-9(18(20,21)22)10(19)5-24-15;19-11-2-1-9(5-10(11)18(20,21)22)27-17(29)14-7-24-16(30-14)4-3-13(28)12-6-15(23)26-8-25-12/h3-4,8,10-13H,5-7,9H2,1-2H3,(H2,24,25,26);2-3,5,7-9H,4,6H2,1H3,(H2,25,26,27);6-10H,5H2,1-4H3,(H2,22,25,26)(H,24,27,28,30);6-10H,5H2,1-4H3,(H2,22,24,25)(H,26,27,30);3-4,6-9,11H,5H2,1-2H3,(H,27,30)(H2,24,25,26);2*2-3,5,7-10H,4,6H2,1H3,(H2,24,25,26);2*2-3,5-9H,4H2,1H3,(H,28,30)(H2,24,26,27);2-3,6-9H,4-5H2,1H3,(H,27,29)(H2,23,25,26);3-8H,2H2,1H3,(H2,23,26,27)(H,24,28,30);1-2,5-8H,3-4H2,(H,27,29)(H2,23,25,26)/t13-;9-;;;11-;2*10-;9-;;;8-;/m01..1010..1./s1
InChIKeyFPWZAPMWCKWYIG-HXFPZXRESA-N
MW5337.25 g/mol
LogP50.94
Rot. Bonds69

About (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one

(3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one (PubChem CID 158106452) has the molecular formula C236H205Cl7F27N65O25S7 and a molecular weight of 5337.25 g/mol. Its IUPAC name is (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
PubChem CID158106452
Molecular FormulaC236H205Cl7F27N65O25S7
Molecular Weight5337.25 g/mol
Exact Mass5330.22
IUPAC Name(3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one
SMILESCC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.C[C@@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C4(C)CC4)cc3C2)no1.C[C@@H](CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.C[C@H](CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1ncnc(N)c1Cl)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3cc(N)ncn3)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3cc(N)ncn3)s2)cc1C(F)(F)F.Nc1cc(C(=O)CCc2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)ncn1
InChIInChI=1S/C23H23N5O2.C20H15ClF3N5O2.2C20H22ClN7O2S.C20H18F3N5O3.2C20H16F3N5O2.2C19H15ClF3N5O2S.C19H16F3N5O2S.C18H14ClF3N6O2S.C18H13ClF3N5O2S/c1-13(7-20(29)19-11-22(24)26-12-25-19)21-10-18(28-30-21)17-9-14-8-15(23(2)5-6-23)3-4-16(14)27-17;1-9(4-15(30)18-17(21)19(25)27-8-26-18)13-7-16(31-29-13)14-6-10-5-11(20(22,23)24)2-3-12(10)28-14;1-10(5-13(29)12-6-15(22)26-9-25-12)18-23-8-14(31-18)17(30)28-19-24-7-11(21)16(27-19)20(2,3)4;1-10(5-13(29)12-7-15(22)25-9-24-12)19-23-8-14(31-19)18(30)26-16-6-11(20(2,3)4)17(21)28-27-16;1-10-3-4-12(6-13(10)20(21,22)23)27-19(30)17-7-14(28-31-17)11(2)5-16(29)15-8-18(24)26-9-25-15;1-10(4-17(29)15-8-19(24)26-9-25-15)14-7-18(30-28-14)16-6-11-5-12(20(21,22)23)2-3-13(11)27-16;1-10(4-17(29)16-8-19(24)26-9-25-16)18-7-15(28-30-18)14-6-11-5-12(20(21,22)23)2-3-13(11)27-14;1-9(4-14(29)13-6-16(24)27-8-26-13)18-25-7-15(31-18)17(30)28-10-2-3-12(20)11(5-10)19(21,22)23;1-9(4-14(29)13-6-16(24)27-8-26-13)18-25-7-15(31-18)17(30)28-10-2-3-11(12(20)5-10)19(21,22)23;1-10-2-3-11(6-12(10)19(20,21)22)27-18(29)15-8-24-17(30-15)5-4-14(28)13-7-16(23)26-9-25-13;1-8(2-12(29)11-4-14(23)27-7-26-11)17-25-6-13(31-17)16(30)28-15-3-9(18(20,21)22)10(19)5-24-15;19-11-2-1-9(5-10(11)18(20,21)22)27-17(29)14-7-24-16(30-14)4-3-13(28)12-6-15(23)26-8-25-12/h3-4,8,10-13H,5-7,9H2,1-2H3,(H2,24,25,26);2-3,5,7-9H,4,6H2,1H3,(H2,25,26,27);6-10H,5H2,1-4H3,(H2,22,25,26)(H,24,27,28,30);6-10H,5H2,1-4H3,(H2,22,24,25)(H,26,27,30);3-4,6-9,11H,5H2,1-2H3,(H,27,30)(H2,24,25,26);2*2-3,5,7-10H,4,6H2,1H3,(H2,24,25,26);2*2-3,5-9H,4H2,1H3,(H,28,30)(H2,24,26,27);2-3,6-9H,4-5H2,1H3,(H,27,29)(H2,23,25,26);3-8H,2H2,1H3,(H2,23,26,27)(H,24,28,30);1-2,5-8H,3-4H2,(H,27,29)(H2,23,25,26)/t13-;9-;;;11-;2*10-;9-;;;8-;/m01..1010..1./s1
InChIKeyFPWZAPMWCKWYIG-HXFPZXRESA-N
XLogP50.94
TPSA1393.51 Ų
H-Bond Donors20
H-Bond Acceptors89
Rotatable Bonds69
Heavy Atoms367
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005337.25
LogP ≤ 550.94
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1089

Analyze (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
The IUPAC name of (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one (CID 158106452) is (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one.
What is the SMILES notation for (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
The canonical SMILES for (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one is CC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2cc(C(C)(C)C)c(Cl)nn2)s1.CC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)s1.CC(CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ncc(Cl)c(C(C)(C)C)n2)s1.C[C@@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.C[C@@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C4(C)CC4)cc3C2)no1.C[C@@H](CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@H](CC(=O)c1cc(N)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.C[C@H](CC(=O)c1cc(N)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1ncnc(N)c1Cl)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3cc(N)ncn3)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cnc(CCC(=O)c3cc(N)ncn3)s2)cc1C(F)(F)F.Nc1cc(C(=O)CCc2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)ncn1.
What is the InChIKey of (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
The InChIKey is FPWZAPMWCKWYIG-HXFPZXRESA-N. The full InChI is InChI=1S/C23H23N5O2.C20H15ClF3N5O2.2C20H22ClN7O2S.C20H18F3N5O3.2C20H16F3N5O2.2C19H15ClF3N5O2S.C19H16F3N5O2S.C18H14ClF3N6O2S.C18H13ClF3N5O2S/c1-13(7-20(29)19-11-22(24)26-12-25-19)21-10-18(28-30-21)17-9-14-8-15(23(2)5-6-23)3-4-16(14)27-17;1-9(4-15(30)18-17(21)19(25)27-8-26-18)13-7-16(31-29-13)14-6-10-5-11(20(22,23)24)2-3-12(10)28-14;1-10(5-13(29)12-6-15(22)26-9-25-12)18-23-8-14(31-18)17(30)28-19-24-7-11(21)16(27-19)20(2,3)4;1-10(5-13(29)12-7-15(22)25-9-24-12)19-23-8-14(31-19)18(30)26-16-6-11(20(2,3)4)17(21)28-27-16;1-10-3-4-12(6-13(10)20(21,22)23)27-19(30)17-7-14(28-31-17)11(2)5-16(29)15-8-18(24)26-9-25-15;1-10(4-17(29)15-8-19(24)26-9-25-15)14-7-18(30-28-14)16-6-11-5-12(20(21,22)23)2-3-13(11)27-16;1-10(4-17(29)16-8-19(24)26-9-25-16)18-7-15(28-30-18)14-6-11-5-12(20(21,22)23)2-3-13(11)27-14;1-9(4-14(29)13-6-16(24)27-8-26-13)18-25-7-15(31-18)17(30)28-10-2-3-12(20)11(5-10)19(21,22)23;1-9(4-14(29)13-6-16(24)27-8-26-13)18-25-7-15(31-18)17(30)28-10-2-3-11(12(20)5-10)19(21,22)23;1-10-2-3-11(6-12(10)19(20,21)22)27-18(29)15-8-24-17(30-15)5-4-14(28)13-7-16(23)26-9-25-13;1-8(2-12(29)11-4-14(23)27-7-26-11)17-25-6-13(31-17)16(30)28-15-3-9(18(20,21)22)10(19)5-24-15;19-11-2-1-9(5-10(11)18(20,21)22)27-17(29)14-7-24-16(30-14)4-3-13(28)12-6-15(23)26-8-25-12/h3-4,8,10-13H,5-7,9H2,1-2H3,(H2,24,25,26);2-3,5,7-9H,4,6H2,1H3,(H2,25,26,27);6-10H,5H2,1-4H3,(H2,22,25,26)(H,24,27,28,30);6-10H,5H2,1-4H3,(H2,22,24,25)(H,26,27,30);3-4,6-9,11H,5H2,1-2H3,(H,27,30)(H2,24,25,26);2*2-3,5,7-10H,4,6H2,1H3,(H2,24,25,26);2*2-3,5-9H,4H2,1H3,(H,28,30)(H2,24,26,27);2-3,6-9H,4-5H2,1H3,(H,27,29)(H2,23,25,26);3-8H,2H2,1H3,(H2,23,26,27)(H,24,28,30);1-2,5-8H,3-4H2,(H,27,29)(H2,23,25,26)/t13-;9-;;;11-;2*10-;9-;;;8-;/m01..1010..1./s1.
What are the key properties of (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one?
(3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one has a molecular weight of 5337.25 g/mol, XLogP of 50.94, 69 rotatable bonds, 20 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-amino-5-chloropyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(1-methylcyclopropyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(5-tert-butyl-6-chloropyridazin-3-yl)-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-(4-tert-butyl-5-chloropyrimidin-2-yl)-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;3-[(2R)-4-(6-aminopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[3-(6-aminopyrimidin-4-yl)-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-(6-aminopyrimidin-4-yl)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-(6-aminopyrimidin-4-yl)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one is sourced from PubChem (CID 158106452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).