2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide

C213H188F32N46O20 — CID 158414444

IUPAC2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide
SMILESCC(O)c1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CN(C)C(=O)c1ccc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(F)c1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C1COC1.Cc1cc(C(=O)N(C)C)ccc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1C.Cc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C(F)F)n1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C)CC5)no4)c(F)c3)cn2)c1
InChIInChI=1S/C30H27F4N5O3.C29H24F5N5O3.C27H24F4N6O3.C27H24F4N6O2.C26H24F4N6O3.C25H20F6N6O2.C25H22F4N6O2.C24H23FN6O2/c1-17-10-21(28(41)39(2)3)7-4-18(17)12-25-35-15-22(16-36-25)19-5-6-20(23(31)11-19)13-27(40)37-26-14-24(42-38-26)29(8-9-29)30(32,33)34;1-39(2)27(41)19-6-5-17(22(31)10-19)11-24-35-14-20(15-36-24)16-3-4-18(21(30)9-16)12-26(40)37-25-13-23(42-38-25)28(7-8-28)29(32,33)34;1-15-18(12-34-37(15)20-13-39-14-20)7-23-32-10-19(11-33-23)16-2-3-17(21(28)6-16)8-25(38)35-24-9-22(40-36-24)26(4-5-26)27(29,30)31;1-15-18(14-37(35-15)20-4-5-20)9-23-32-12-19(13-33-23)16-2-3-17(21(28)8-16)10-25(38)34-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-14(37)24-17(13-36(2)34-24)8-21-31-11-18(12-32-21)15-3-4-16(19(27)7-15)9-23(38)33-22-10-20(39-35-22)25(5-6-25)26(28,29)30;1-37-12-15(22(35-37)23(27)28)7-19-32-10-16(11-33-19)13-2-3-14(17(26)6-13)8-21(38)34-20-9-18(39-36-20)24(4-5-24)25(29,30)31;1-14-32-18(13-35(14)2)9-21-30-11-17(12-31-21)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-24(5-6-24)20-10-23(33-30-20)29-22(32)8-16-4-3-15(7-19(16)25)17-11-26-21(27-12-17)9-18-13-31(2)14-28-18/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,37,38,40);3-6,9-10,13-15H,7-8,11-12H2,1-2H3,(H,37,38,40);2-3,6,9-12,20H,4-5,7-8,13-14H2,1H3,(H,35,36,38);2-3,8,11-14,20H,4-7,9-10H2,1H3,(H,34,36,38);3-4,7,10-14,37H,5-6,8-9H2,1-2H3,(H,33,35,38);2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,33,34,36);3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,29,32)
InChIKeyGZSDJVYPNFLPRJ-UHFFFAOYSA-N
MW4320.08 g/mol
LogP39.55
Rot. Bonds62

About 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide

2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide (PubChem CID 158414444) has the molecular formula C213H188F32N46O20 and a molecular weight of 4320.08 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide
PubChem CID158414444
Molecular FormulaC213H188F32N46O20
Molecular Weight4320.08 g/mol
Exact Mass4317.46
IUPAC Name2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide
SMILESCC(O)c1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CN(C)C(=O)c1ccc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(F)c1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C1COC1.Cc1cc(C(=O)N(C)C)ccc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1C.Cc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C(F)F)n1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C)CC5)no4)c(F)c3)cn2)c1
InChIInChI=1S/C30H27F4N5O3.C29H24F5N5O3.C27H24F4N6O3.C27H24F4N6O2.C26H24F4N6O3.C25H20F6N6O2.C25H22F4N6O2.C24H23FN6O2/c1-17-10-21(28(41)39(2)3)7-4-18(17)12-25-35-15-22(16-36-25)19-5-6-20(23(31)11-19)13-27(40)37-26-14-24(42-38-26)29(8-9-29)30(32,33)34;1-39(2)27(41)19-6-5-17(22(31)10-19)11-24-35-14-20(15-36-24)16-3-4-18(21(30)9-16)12-26(40)37-25-13-23(42-38-25)28(7-8-28)29(32,33)34;1-15-18(12-34-37(15)20-13-39-14-20)7-23-32-10-19(11-33-23)16-2-3-17(21(28)6-16)8-25(38)35-24-9-22(40-36-24)26(4-5-26)27(29,30)31;1-15-18(14-37(35-15)20-4-5-20)9-23-32-12-19(13-33-23)16-2-3-17(21(28)8-16)10-25(38)34-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-14(37)24-17(13-36(2)34-24)8-21-31-11-18(12-32-21)15-3-4-16(19(27)7-15)9-23(38)33-22-10-20(39-35-22)25(5-6-25)26(28,29)30;1-37-12-15(22(35-37)23(27)28)7-19-32-10-16(11-33-19)13-2-3-14(17(26)6-13)8-21(38)34-20-9-18(39-36-20)24(4-5-24)25(29,30)31;1-14-32-18(13-35(14)2)9-21-30-11-17(12-31-21)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-24(5-6-24)20-10-23(33-30-20)29-22(32)8-16-4-3-15(7-19(16)25)17-11-26-21(27-12-17)9-18-13-31(2)14-28-18/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,37,38,40);3-6,9-10,13-15H,7-8,11-12H2,1-2H3,(H,37,38,40);2-3,6,9-12,20H,4-5,7-8,13-14H2,1H3,(H,35,36,38);2-3,8,11-14,20H,4-7,9-10H2,1H3,(H,34,36,38);3-4,7,10-14,37H,5-6,8-9H2,1-2H3,(H,33,35,38);2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,33,34,36);3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,29,32)
InChIKeyGZSDJVYPNFLPRJ-UHFFFAOYSA-N
XLogP39.55
TPSA824.28 Ų
H-Bond Donors9
H-Bond Acceptors56
Rotatable Bonds62
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004320.08
LogP ≤ 539.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1056

Analyze 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide with MolForge

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What is the IUPAC name of 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide?
The IUPAC name of 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide (CID 158414444) is 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide.
What is the SMILES notation for 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide?
The canonical SMILES for 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide is CC(O)c1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CN(C)C(=O)c1ccc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(F)c1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C1COC1.Cc1cc(C(=O)N(C)C)ccc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1C.Cc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C(F)F)n1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C)CC5)no4)c(F)c3)cn2)c1.
What is the InChIKey of 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide?
The InChIKey is GZSDJVYPNFLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F4N5O3.C29H24F5N5O3.C27H24F4N6O3.C27H24F4N6O2.C26H24F4N6O3.C25H20F6N6O2.C25H22F4N6O2.C24H23FN6O2/c1-17-10-21(28(41)39(2)3)7-4-18(17)12-25-35-15-22(16-36-25)19-5-6-20(23(31)11-19)13-27(40)37-26-14-24(42-38-26)29(8-9-29)30(32,33)34;1-39(2)27(41)19-6-5-17(22(31)10-19)11-24-35-14-20(15-36-24)16-3-4-18(21(30)9-16)12-26(40)37-25-13-23(42-38-25)28(7-8-28)29(32,33)34;1-15-18(12-34-37(15)20-13-39-14-20)7-23-32-10-19(11-33-23)16-2-3-17(21(28)6-16)8-25(38)35-24-9-22(40-36-24)26(4-5-26)27(29,30)31;1-15-18(14-37(35-15)20-4-5-20)9-23-32-12-19(13-33-23)16-2-3-17(21(28)8-16)10-25(38)34-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-14(37)24-17(13-36(2)34-24)8-21-31-11-18(12-32-21)15-3-4-16(19(27)7-15)9-23(38)33-22-10-20(39-35-22)25(5-6-25)26(28,29)30;1-37-12-15(22(35-37)23(27)28)7-19-32-10-16(11-33-19)13-2-3-14(17(26)6-13)8-21(38)34-20-9-18(39-36-20)24(4-5-24)25(29,30)31;1-14-32-18(13-35(14)2)9-21-30-11-17(12-31-21)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-24(5-6-24)20-10-23(33-30-20)29-22(32)8-16-4-3-15(7-19(16)25)17-11-26-21(27-12-17)9-18-13-31(2)14-28-18/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,37,38,40);3-6,9-10,13-15H,7-8,11-12H2,1-2H3,(H,37,38,40);2-3,6,9-12,20H,4-5,7-8,13-14H2,1H3,(H,35,36,38);2-3,8,11-14,20H,4-7,9-10H2,1H3,(H,34,36,38);3-4,7,10-14,37H,5-6,8-9H2,1-2H3,(H,33,35,38);2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,33,34,36);3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide?
2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide has a molecular weight of 4320.08 g/mol, XLogP of 39.55, 62 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyclopropyl-3-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,2-dimethylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;3-fluoro-4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N-dimethylbenzamide;2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[2-fluoro-4-[2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 158414444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).