2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C189H178F29N41O19 — CID 157273068

IUPAC2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]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.CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(C)n1.CCc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1CCOC.CCc1nn(CCOC)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1C[C@H](C)O.Cc1nn(C[C@H](C)O)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(OC(F)F)n1
InChIInChI=1S/2C28H28F4N6O3.C28H27F4N5O3.C27H26F4N6O3.C27H27F3N6O2.C26H22F4N6O2.C25H20F6N6O3/c1-3-22-19(16-38(36-22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)35-25-13-23(41-37-25)27(6-7-27)28(30,31)32;1-3-22-19(16-35-38(22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)36-25-13-23(41-37-25)27(6-7-27)28(30,31)32;1-16(38)15-37-8-5-18(17(37)2)10-24-33-13-21(14-34-24)19-3-4-20(22(29)9-19)11-26(39)35-25-12-23(40-36-25)27(6-7-27)28(30,31)32;1-15(38)13-37-14-19(16(2)35-37)8-23-32-11-20(12-33-23)17-3-4-18(21(28)7-17)9-25(39)34-24-10-22(40-36-24)26(5-6-26)27(29,30)31;1-3-10-36-16-20(17(2)34-36)12-23-31-14-21(15-32-23)19-6-4-18(5-7-19)11-25(37)33-24-13-22(38-35-24)26(8-9-26)27(28,29)30;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;1-37-12-15(22(35-37)39-23(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(40-36-20)24(4-5-24)25(29,30)31/h4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,35,37,39);4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,36,37,39);3-5,8-9,12-14,16,38H,6-7,10-11,15H2,1-2H3,(H,35,36,39);3-4,7,10-12,14-15,38H,5-6,8-9,13H2,1-2H3,(H,34,36,39);4-7,13-16H,3,8-12H2,1-2H3,(H,33,35,37);3-5,8,11-14H,1,6-7,9-10H2,2H3,(H,33,35,37);2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38)/t;;16-;15-;;;/m..00.../s1
InChIKeyAYTNQCNOPPDFCK-MNOLIAGFSA-N
MW3878.71 g/mol
LogP35.13
Rot. Bonds66

About 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 157273068) has the molecular formula C189H178F29N41O19 and a molecular weight of 3878.71 g/mol. Its IUPAC name is 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID157273068
Molecular FormulaC189H178F29N41O19
Molecular Weight3878.71 g/mol
Exact Mass3876.38
IUPAC Name2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]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.CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(C)n1.CCc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1CCOC.CCc1nn(CCOC)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1C[C@H](C)O.Cc1nn(C[C@H](C)O)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(OC(F)F)n1
InChIInChI=1S/2C28H28F4N6O3.C28H27F4N5O3.C27H26F4N6O3.C27H27F3N6O2.C26H22F4N6O2.C25H20F6N6O3/c1-3-22-19(16-38(36-22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)35-25-13-23(41-37-25)27(6-7-27)28(30,31)32;1-3-22-19(16-35-38(22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)36-25-13-23(41-37-25)27(6-7-27)28(30,31)32;1-16(38)15-37-8-5-18(17(37)2)10-24-33-13-21(14-34-24)19-3-4-20(22(29)9-19)11-26(39)35-25-12-23(40-36-25)27(6-7-27)28(30,31)32;1-15(38)13-37-14-19(16(2)35-37)8-23-32-11-20(12-33-23)17-3-4-18(21(28)7-17)9-25(39)34-24-10-22(40-36-24)26(5-6-26)27(29,30)31;1-3-10-36-16-20(17(2)34-36)12-23-31-14-21(15-32-23)19-6-4-18(5-7-19)11-25(37)33-24-13-22(38-35-24)26(8-9-26)27(28,29)30;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;1-37-12-15(22(35-37)39-23(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(40-36-20)24(4-5-24)25(29,30)31/h4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,35,37,39);4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,36,37,39);3-5,8-9,12-14,16,38H,6-7,10-11,15H2,1-2H3,(H,35,36,39);3-4,7,10-12,14-15,38H,5-6,8-9,13H2,1-2H3,(H,34,36,39);4-7,13-16H,3,8-12H2,1-2H3,(H,33,35,37);3-5,8,11-14H,1,6-7,9-10H2,2H3,(H,33,35,37);2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38)/t;;16-;15-;;;/m..00.../s1
InChIKeyAYTNQCNOPPDFCK-MNOLIAGFSA-N
XLogP35.13
TPSA746.37 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds66
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003878.71
LogP ≤ 535.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Analyze 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 157273068) is 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]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-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]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.CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(C)n1.CCc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1CCOC.CCc1nn(CCOC)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1C[C@H](C)O.Cc1nn(C[C@H](C)O)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(OC(F)F)n1.
What is the InChIKey of 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is AYTNQCNOPPDFCK-MNOLIAGFSA-N. The full InChI is InChI=1S/2C28H28F4N6O3.C28H27F4N5O3.C27H26F4N6O3.C27H27F3N6O2.C26H22F4N6O2.C25H20F6N6O3/c1-3-22-19(16-38(36-22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)35-25-13-23(41-37-25)27(6-7-27)28(30,31)32;1-3-22-19(16-35-38(22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)36-25-13-23(41-37-25)27(6-7-27)28(30,31)32;1-16(38)15-37-8-5-18(17(37)2)10-24-33-13-21(14-34-24)19-3-4-20(22(29)9-19)11-26(39)35-25-12-23(40-36-25)27(6-7-27)28(30,31)32;1-15(38)13-37-14-19(16(2)35-37)8-23-32-11-20(12-33-23)17-3-4-18(21(28)7-17)9-25(39)34-24-10-22(40-36-24)26(5-6-26)27(29,30)31;1-3-10-36-16-20(17(2)34-36)12-23-31-14-21(15-32-23)19-6-4-18(5-7-19)11-25(37)33-24-13-22(38-35-24)26(8-9-26)27(28,29)30;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;1-37-12-15(22(35-37)39-23(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(40-36-20)24(4-5-24)25(29,30)31/h4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,35,37,39);4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,36,37,39);3-5,8-9,12-14,16,38H,6-7,10-11,15H2,1-2H3,(H,35,36,39);3-4,7,10-12,14-15,38H,5-6,8-9,13H2,1-2H3,(H,34,36,39);4-7,13-16H,3,8-12H2,1-2H3,(H,33,35,37);3-5,8,11-14H,1,6-7,9-10H2,2H3,(H,33,35,37);2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38)/t;;16-;15-;;;/m..00.../s1.
What are the key properties of 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 3878.71 g/mol, XLogP of 35.13, 66 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[3-(difluoromethoxy)-1-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethenyl-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[5-ethyl-1-(2-methoxyethyl)pyrazol-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-[(2S)-2-hydroxypropyl]-3-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-[(2S)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 157273068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).