2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate

C192H184F28N42O24 — CID 162189849

IUPAC2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate
SMILESCCC(C)(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.CCC(C)(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.CCOc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1.COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1.COc1nn(CCOC(C)=O)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.[2H]C([2H])(C)C([2H])([2H])n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.[2H]C([2H])(OC(C)=O)C([2H])([2H])n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1
InChIInChI=1S/C29H30F4N6O3.C29H30F4N6O2.2C28H26F4N6O5.C27H26F4N6O3.C26H24F4N6O3.C25H22F4N6O3/c1-5-27(2,3)39-16-19(26(37-39)41-4)11-23-34-14-20(15-35-23)17-6-7-18(21(30)10-17)12-25(40)36-24-13-22(42-38-24)28(8-9-28)29(31,32)33;1-5-27(3,4)39-16-20(17(2)37-39)11-24-34-14-21(15-35-24)18-6-7-19(22(30)10-18)12-26(40)36-25-13-23(41-38-25)28(8-9-28)29(31,32)33;2*1-16(39)42-8-7-38-15-19(26(36-38)41-2)10-23-33-13-20(14-34-23)17-3-4-18(21(29)9-17)11-25(40)35-24-12-22(43-37-24)27(5-6-27)28(30,31)32;1-3-8-37-15-18(25(35-37)39-2)10-22-32-13-19(14-33-22)16-4-5-17(20(28)9-16)11-24(38)34-23-12-21(40-36-23)26(6-7-26)27(29,30)31;1-3-38-24-11-18(36(2)34-24)10-21-31-13-17(14-32-21)15-4-5-16(19(27)8-15)9-23(37)33-22-12-20(39-35-22)25(6-7-25)26(28,29)30;1-35-17(10-23(33-35)37-2)9-20-30-12-16(13-31-20)14-3-4-15(18(26)7-14)8-22(36)32-21-11-19(38-34-21)24(5-6-24)25(27,28)29/h6-7,10,13-16H,5,8-9,11-12H2,1-4H3,(H,36,38,40);6-7,10,13-16H,5,8-9,11-12H2,1-4H3,(H,36,38,40);2*3-4,9,12-15H,5-8,10-11H2,1-2H3,(H,35,37,40);4-5,9,12-15H,3,6-8,10-11H2,1-2H3,(H,34,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36)/i;;7D2,8D2;;3D2,8D2;;
InChIKeyZQDPBDIHCYSFHY-CPIQTQLRSA-N
MW4003.85 g/mol
LogP35.48
Rot. Bonds68

About 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate

2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate (PubChem CID 162189849) has the molecular formula C192H184F28N42O24 and a molecular weight of 4003.85 g/mol. Its IUPAC name is 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate.

Molecular Properties

Compound Name2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate
PubChem CID162189849
Molecular FormulaC192H184F28N42O24
Molecular Weight4003.85 g/mol
Exact Mass4001.45
IUPAC Name2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate
SMILESCCC(C)(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.CCC(C)(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.CCOc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1.COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1.COc1nn(CCOC(C)=O)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.[2H]C([2H])(C)C([2H])([2H])n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.[2H]C([2H])(OC(C)=O)C([2H])([2H])n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1
InChIInChI=1S/C29H30F4N6O3.C29H30F4N6O2.2C28H26F4N6O5.C27H26F4N6O3.C26H24F4N6O3.C25H22F4N6O3/c1-5-27(2,3)39-16-19(26(37-39)41-4)11-23-34-14-20(15-35-23)17-6-7-18(21(30)10-17)12-25(40)36-24-13-22(42-38-24)28(8-9-28)29(31,32)33;1-5-27(3,4)39-16-20(17(2)37-39)11-24-34-14-21(15-35-24)18-6-7-19(22(30)10-18)12-26(40)36-25-13-23(41-38-25)28(8-9-28)29(31,32)33;2*1-16(39)42-8-7-38-15-19(26(36-38)41-2)10-23-33-13-20(14-34-23)17-3-4-18(21(29)9-17)11-25(40)35-24-12-22(43-37-24)27(5-6-27)28(30,31)32;1-3-8-37-15-18(25(35-37)39-2)10-22-32-13-19(14-33-22)16-4-5-17(20(28)9-16)11-24(38)34-23-12-21(40-36-23)26(6-7-26)27(29,30)31;1-3-38-24-11-18(36(2)34-24)10-21-31-13-17(14-32-21)15-4-5-16(19(27)8-15)9-23(37)33-22-12-20(39-35-22)25(6-7-25)26(28,29)30;1-35-17(10-23(33-35)37-2)9-20-30-12-16(13-31-20)14-3-4-15(18(26)7-14)8-22(36)32-21-11-19(38-34-21)24(5-6-24)25(27,28)29/h6-7,10,13-16H,5,8-9,11-12H2,1-4H3,(H,36,38,40);6-7,10,13-16H,5,8-9,11-12H2,1-4H3,(H,36,38,40);2*3-4,9,12-15H,5-8,10-11H2,1-2H3,(H,35,37,40);4-5,9,12-15H,3,6-8,10-11H2,1-2H3,(H,34,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36)/i;;7D2,8D2;;3D2,8D2;;
InChIKeyZQDPBDIHCYSFHY-CPIQTQLRSA-N
XLogP35.48
TPSA799.09 Ų
H-Bond Donors7
H-Bond Acceptors59
Rotatable Bonds68
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004003.85
LogP ≤ 535.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1059

Analyze 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate?
The IUPAC name of 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate (CID 162189849) is 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate.
What is the SMILES notation for 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate?
The canonical SMILES for 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate is CCC(C)(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.CCC(C)(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.CCOc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1.COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1.COc1nn(CCOC(C)=O)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.[2H]C([2H])(C)C([2H])([2H])n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.[2H]C([2H])(OC(C)=O)C([2H])([2H])n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.
What is the InChIKey of 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate?
The InChIKey is ZQDPBDIHCYSFHY-CPIQTQLRSA-N. The full InChI is InChI=1S/C29H30F4N6O3.C29H30F4N6O2.2C28H26F4N6O5.C27H26F4N6O3.C26H24F4N6O3.C25H22F4N6O3/c1-5-27(2,3)39-16-19(26(37-39)41-4)11-23-34-14-20(15-35-23)17-6-7-18(21(30)10-17)12-25(40)36-24-13-22(42-38-24)28(8-9-28)29(31,32)33;1-5-27(3,4)39-16-20(17(2)37-39)11-24-34-14-21(15-35-24)18-6-7-19(22(30)10-18)12-26(40)36-25-13-23(41-38-25)28(8-9-28)29(31,32)33;2*1-16(39)42-8-7-38-15-19(26(36-38)41-2)10-23-33-13-20(14-34-23)17-3-4-18(21(29)9-17)11-25(40)35-24-12-22(43-37-24)27(5-6-27)28(30,31)32;1-3-8-37-15-18(25(35-37)39-2)10-22-32-13-19(14-33-22)16-4-5-17(20(28)9-16)11-24(38)34-23-12-21(40-36-23)26(6-7-26)27(29,30)31;1-3-38-24-11-18(36(2)34-24)10-21-31-13-17(14-32-21)15-4-5-16(19(27)8-15)9-23(37)33-22-12-20(39-35-22)25(6-7-25)26(28,29)30;1-35-17(10-23(33-35)37-2)9-20-30-12-16(13-31-20)14-3-4-15(18(26)7-14)8-22(36)32-21-11-19(38-34-21)24(5-6-24)25(27,28)29/h6-7,10,13-16H,5,8-9,11-12H2,1-4H3,(H,36,38,40);6-7,10,13-16H,5,8-9,11-12H2,1-4H3,(H,36,38,40);2*3-4,9,12-15H,5-8,10-11H2,1-2H3,(H,35,37,40);4-5,9,12-15H,3,6-8,10-11H2,1-2H3,(H,34,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36)/i;;7D2,8D2;;3D2,8D2;;.
What are the key properties of 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate?
2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate has a molecular weight of 4003.85 g/mol, XLogP of 35.48, 68 rotatable bonds, 7 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-ethoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methoxy-1-(1,1,2,2-tetradeuteriopropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl acetate;[1,1,2,2-tetradeuterio-2-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-3-methoxypyrazol-1-yl]ethyl] acetate is sourced from PubChem (CID 162189849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).