2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C211H186F32N46O17S — CID 159654146

IUPAC2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC#Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CCC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C2CC2)n1.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C1CC1.CN(C)C(=O)c1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1C.CNc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.O=C(Cc1ccc(-c2cnc(Cc3cccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/2C29H28F4N6O2.C27H25F4N7O3.C26H20F4N6O2.C26H23F4N5O2.C25H23F4N7O2.C25H21F4N5O2.C24H18F4N4O2S/c1-2-9-39-16-20(27(37-39)17-3-4-17)11-24-34-14-21(15-35-24)18-5-6-19(22(30)10-18)12-26(40)36-25-13-23(41-38-25)28(7-8-28)29(31,32)33;1-2-9-39-27(17-3-4-17)20(16-36-39)11-24-34-14-21(15-35-24)18-5-6-19(22(30)10-18)12-26(40)37-25-13-23(41-38-25)28(7-8-28)29(31,32)33;1-37(2)25(40)24-34-18(14-38(24)3)10-21-32-12-17(13-33-21)15-4-5-16(19(28)8-15)9-23(39)35-22-11-20(41-36-22)26(6-7-26)27(29,30)31;1-3-20-17(14-36(2)34-20)9-22-31-12-18(13-32-22)15-4-5-16(19(27)8-15)10-24(37)33-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-2-20-17(5-8-31-20)10-22-32-13-18(14-33-22)15-3-4-16(19(27)9-15)11-24(36)34-23-12-21(37-35-23)25(6-7-25)26(28,29)30;1-30-23-16(13-36(2)34-23)8-20-31-11-17(12-32-20)14-3-4-15(18(26)7-14)9-22(37)33-21-10-19(38-35-21)24(5-6-24)25(27,28)29;1-14-15(4-7-30-14)9-21-31-12-18(13-32-21)16-2-3-17(19(26)8-16)10-23(35)33-22-11-20(36-34-22)24(5-6-24)25(27,28)29;25-18-8-14(16-12-29-20(30-13-16)10-17-2-1-7-35-17)3-4-15(18)9-22(33)31-21-11-19(34-32-21)23(5-6-23)24(26,27)28/h5-6,10,13-17H,2-4,7-9,11-12H2,1H3,(H,36,38,40);5-6,10,13-17H,2-4,7-9,11-12H2,1H3,(H,37,38,40);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,35,36,39);1,4-5,8,11-14H,6-7,9-10H2,2H3,(H,33,35,37);3-5,9,12-14H,2,6-8,10-11H2,1H3,(H,34,35,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,30,34)(H,33,35,37);2-4,8,11-13H,5-7,9-10H2,1H3,(H,33,34,35);1-4,7-8,11-13H,5-6,9-10H2,(H,31,32,33)
InChIKeyMRYPYGRCRZVITL-UHFFFAOYSA-N
MW4278.12 g/mol
LogP41.14
Rot. Bonds65

About 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 159654146) has the molecular formula C211H186F32N46O17S and a molecular weight of 4278.12 g/mol. Its IUPAC name is 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID159654146
Molecular FormulaC211H186F32N46O17S
Molecular Weight4278.12 g/mol
Exact Mass4275.43
IUPAC Name2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC#Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CCC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C2CC2)n1.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C1CC1.CN(C)C(=O)c1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1C.CNc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.O=C(Cc1ccc(-c2cnc(Cc3cccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/2C29H28F4N6O2.C27H25F4N7O3.C26H20F4N6O2.C26H23F4N5O2.C25H23F4N7O2.C25H21F4N5O2.C24H18F4N4O2S/c1-2-9-39-16-20(27(37-39)17-3-4-17)11-24-34-14-21(15-35-24)18-5-6-19(22(30)10-18)12-26(40)36-25-13-23(41-38-25)28(7-8-28)29(31,32)33;1-2-9-39-27(17-3-4-17)20(16-36-39)11-24-34-14-21(15-35-24)18-5-6-19(22(30)10-18)12-26(40)37-25-13-23(41-38-25)28(7-8-28)29(31,32)33;1-37(2)25(40)24-34-18(14-38(24)3)10-21-32-12-17(13-33-21)15-4-5-16(19(28)8-15)9-23(39)35-22-11-20(41-36-22)26(6-7-26)27(29,30)31;1-3-20-17(14-36(2)34-20)9-22-31-12-18(13-32-22)15-4-5-16(19(27)8-15)10-24(37)33-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-2-20-17(5-8-31-20)10-22-32-13-18(14-33-22)15-3-4-16(19(27)9-15)11-24(36)34-23-12-21(37-35-23)25(6-7-25)26(28,29)30;1-30-23-16(13-36(2)34-23)8-20-31-11-17(12-32-20)14-3-4-15(18(26)7-14)9-22(37)33-21-10-19(38-35-21)24(5-6-24)25(27,28)29;1-14-15(4-7-30-14)9-21-31-12-18(13-32-21)16-2-3-17(19(26)8-16)10-23(35)33-22-11-20(36-34-22)24(5-6-24)25(27,28)29;25-18-8-14(16-12-29-20(30-13-16)10-17-2-1-7-35-17)3-4-15(18)9-22(33)31-21-11-19(34-32-21)23(5-6-23)24(26,27)28/h5-6,10,13-17H,2-4,7-9,11-12H2,1H3,(H,36,38,40);5-6,10,13-17H,2-4,7-9,11-12H2,1H3,(H,37,38,40);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,35,36,39);1,4-5,8,11-14H,6-7,9-10H2,2H3,(H,33,35,37);3-5,9,12-14H,2,6-8,10-11H2,1H3,(H,34,35,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,30,34)(H,33,35,37);2-4,8,11-13H,5-7,9-10H2,1H3,(H,33,34,35);1-4,7-8,11-13H,5-6,9-10H2,(H,31,32,33)
InChIKeyMRYPYGRCRZVITL-UHFFFAOYSA-N
XLogP41.14
TPSA793.44 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds65
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004278.12
LogP ≤ 541.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Analyze 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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What is the IUPAC name of 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 159654146) is 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is C#Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CCC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C2CC2)n1.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C1CC1.CN(C)C(=O)c1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1C.CNc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.O=C(Cc1ccc(-c2cnc(Cc3cccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is MRYPYGRCRZVITL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28F4N6O2.C27H25F4N7O3.C26H20F4N6O2.C26H23F4N5O2.C25H23F4N7O2.C25H21F4N5O2.C24H18F4N4O2S/c1-2-9-39-16-20(27(37-39)17-3-4-17)11-24-34-14-21(15-35-24)18-5-6-19(22(30)10-18)12-26(40)36-25-13-23(41-38-25)28(7-8-28)29(31,32)33;1-2-9-39-27(17-3-4-17)20(16-36-39)11-24-34-14-21(15-35-24)18-5-6-19(22(30)10-18)12-26(40)37-25-13-23(41-38-25)28(7-8-28)29(31,32)33;1-37(2)25(40)24-34-18(14-38(24)3)10-21-32-12-17(13-33-21)15-4-5-16(19(28)8-15)9-23(39)35-22-11-20(41-36-22)26(6-7-26)27(29,30)31;1-3-20-17(14-36(2)34-20)9-22-31-12-18(13-32-22)15-4-5-16(19(27)8-15)10-24(37)33-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-2-20-17(5-8-31-20)10-22-32-13-18(14-33-22)15-3-4-16(19(27)9-15)11-24(36)34-23-12-21(37-35-23)25(6-7-25)26(28,29)30;1-30-23-16(13-36(2)34-23)8-20-31-11-17(12-32-20)14-3-4-15(18(26)7-14)9-22(37)33-21-10-19(38-35-21)24(5-6-24)25(27,28)29;1-14-15(4-7-30-14)9-21-31-12-18(13-32-21)16-2-3-17(19(26)8-16)10-23(35)33-22-11-20(36-34-22)24(5-6-24)25(27,28)29;25-18-8-14(16-12-29-20(30-13-16)10-17-2-1-7-35-17)3-4-15(18)9-22(33)31-21-11-19(34-32-21)23(5-6-23)24(26,27)28/h5-6,10,13-17H,2-4,7-9,11-12H2,1H3,(H,36,38,40);5-6,10,13-17H,2-4,7-9,11-12H2,1H3,(H,37,38,40);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,35,36,39);1,4-5,8,11-14H,6-7,9-10H2,2H3,(H,33,35,37);3-5,9,12-14H,2,6-8,10-11H2,1H3,(H,34,35,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,30,34)(H,33,35,37);2-4,8,11-13H,5-7,9-10H2,1H3,(H,33,34,35);1-4,7-8,11-13H,5-6,9-10H2,(H,31,32,33).
What are the key properties of 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 4278.12 g/mol, XLogP of 41.14, 65 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-cyclopropyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethynyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-methyl-3-(methylamino)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-2H-pyrrol-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,1-trimethylimidazole-2-carboxamide;2-[2-fluoro-4-[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 159654146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).