2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C182H160ClF28N41O17S — CID 158697463

IUPAC2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCCOc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COCCOc1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)s1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(Cl)n1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cc1C#N.O=C(Cc1ccc(-c2cnc(Cc3cn(C4CC4)cn3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.[2H]C([2H])(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.[2H]C([2H])(C)n1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C
InChIInChI=1S/C27H22F4N6O2.C26H24F4N6O3.C26H22F4N6O2.2C26H24F4N6O2.C26H23F4N5O4S.C25H21ClF4N6O2/c1-15-20(14-37(2)35-15)9-22-18(12-32)7-19(13-33-22)16-3-4-17(21(28)8-16)10-25(38)34-24-11-23(39-36-24)26(5-6-26)27(29,30)31;1-3-38-24-17(14-36(2)34-24)9-21-31-12-18(13-32-21)15-4-5-16(19(27)8-15)10-23(37)33-22-11-20(39-35-22)25(6-7-25)26(28,29)30;27-20-7-15(17-11-31-22(32-12-17)9-18-13-36(14-33-18)19-3-4-19)1-2-16(20)8-24(37)34-23-10-21(38-35-23)25(5-6-25)26(28,29)30;1-3-36-14-18(15(2)34-36)9-22-31-12-19(13-32-22)16-4-5-17(20(27)8-16)10-24(37)33-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-3-36-15(2)18(14-33-36)9-22-31-12-19(13-32-22)16-4-5-17(20(27)8-16)10-24(37)34-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-37-6-7-38-24-33-14-18(40-24)10-21-31-12-17(13-32-21)15-2-3-16(19(27)8-15)9-23(36)34-22-11-20(39-35-22)25(4-5-25)26(28,29)30;1-13-16(12-36(2)34-13)8-20-31-11-17(23(26)33-20)14-3-4-15(18(27)7-14)9-22(37)32-21-10-19(38-35-21)24(5-6-24)25(28,29)30/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3,(H,34,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);1-2,7,10-14,19H,3-6,8-9H2,(H,34,35,37);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,34,35,37);2-3,8,11-14H,4-7,9-10H2,1H3,(H,34,35,36);3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,32,35,37)/i;;;2*3D2;;
InChIKeyIHDACZKURBFNFC-LDNRATAMSA-N
MW3797.04 g/mol
LogP35.87
Rot. Bonds58

About 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 158697463) has the molecular formula C182H160ClF28N41O17S and a molecular weight of 3797.04 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID158697463
Molecular FormulaC182H160ClF28N41O17S
Molecular Weight3797.04 g/mol
Exact Mass3794.21
IUPAC Name2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCCOc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COCCOc1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)s1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(Cl)n1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cc1C#N.O=C(Cc1ccc(-c2cnc(Cc3cn(C4CC4)cn3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.[2H]C([2H])(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.[2H]C([2H])(C)n1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C
InChIInChI=1S/C27H22F4N6O2.C26H24F4N6O3.C26H22F4N6O2.2C26H24F4N6O2.C26H23F4N5O4S.C25H21ClF4N6O2/c1-15-20(14-37(2)35-15)9-22-18(12-32)7-19(13-33-22)16-3-4-17(21(28)8-16)10-25(38)34-24-11-23(39-36-24)26(5-6-26)27(29,30)31;1-3-38-24-17(14-36(2)34-24)9-21-31-12-18(13-32-21)15-4-5-16(19(27)8-15)10-23(37)33-22-11-20(39-35-22)25(6-7-25)26(28,29)30;27-20-7-15(17-11-31-22(32-12-17)9-18-13-36(14-33-18)19-3-4-19)1-2-16(20)8-24(37)34-23-10-21(38-35-23)25(5-6-25)26(28,29)30;1-3-36-14-18(15(2)34-36)9-22-31-12-19(13-32-22)16-4-5-17(20(27)8-16)10-24(37)33-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-3-36-15(2)18(14-33-36)9-22-31-12-19(13-32-22)16-4-5-17(20(27)8-16)10-24(37)34-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-37-6-7-38-24-33-14-18(40-24)10-21-31-12-17(13-32-21)15-2-3-16(19(27)8-15)9-23(36)34-22-11-20(39-35-22)25(4-5-25)26(28,29)30;1-13-16(12-36(2)34-13)8-20-31-11-17(23(26)33-20)14-3-4-15(18(27)7-14)9-22(37)32-21-10-19(38-35-21)24(5-6-24)25(28,29)30/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3,(H,34,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);1-2,7,10-14,19H,3-6,8-9H2,(H,34,35,37);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,34,35,37);2-3,8,11-14H,4-7,9-10H2,1H3,(H,34,35,36);3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,32,35,37)/i;;;2*3D2;;
InChIKeyIHDACZKURBFNFC-LDNRATAMSA-N
XLogP35.87
TPSA724.77 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds58
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003797.04
LogP ≤ 535.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-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-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 158697463) is 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-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-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CCOc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COCCOc1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)s1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(Cl)n1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cc1C#N.O=C(Cc1ccc(-c2cnc(Cc3cn(C4CC4)cn3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.[2H]C([2H])(C)n1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.[2H]C([2H])(C)n1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C.
What is the InChIKey of 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is IHDACZKURBFNFC-LDNRATAMSA-N. The full InChI is InChI=1S/C27H22F4N6O2.C26H24F4N6O3.C26H22F4N6O2.2C26H24F4N6O2.C26H23F4N5O4S.C25H21ClF4N6O2/c1-15-20(14-37(2)35-15)9-22-18(12-32)7-19(13-33-22)16-3-4-17(21(28)8-16)10-25(38)34-24-11-23(39-36-24)26(5-6-26)27(29,30)31;1-3-38-24-17(14-36(2)34-24)9-21-31-12-18(13-32-21)15-4-5-16(19(27)8-15)10-23(37)33-22-11-20(39-35-22)25(6-7-25)26(28,29)30;27-20-7-15(17-11-31-22(32-12-17)9-18-13-36(14-33-18)19-3-4-19)1-2-16(20)8-24(37)34-23-10-21(38-35-23)25(5-6-25)26(28,29)30;1-3-36-14-18(15(2)34-36)9-22-31-12-19(13-32-22)16-4-5-17(20(27)8-16)10-24(37)33-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-3-36-15(2)18(14-33-36)9-22-31-12-19(13-32-22)16-4-5-17(20(27)8-16)10-24(37)34-23-11-21(38-35-23)25(6-7-25)26(28,29)30;1-37-6-7-38-24-33-14-18(40-24)10-21-31-12-17(13-32-21)15-2-3-16(19(27)8-15)9-23(36)34-22-11-20(39-35-22)25(4-5-25)26(28,29)30;1-13-16(12-36(2)34-13)8-20-31-11-17(23(26)33-20)14-3-4-15(18(27)7-14)9-22(37)32-21-10-19(38-35-21)24(5-6-24)25(28,29)30/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3,(H,34,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);1-2,7,10-14,19H,3-6,8-9H2,(H,34,35,37);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,34,35,37);2-3,8,11-14H,4-7,9-10H2,1H3,(H,34,35,36);3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,32,35,37)/i;;;2*3D2;;.
What are the key properties of 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 3797.04 g/mol, XLogP of 35.87, 58 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[5-cyano-6-[(1,3-dimethylpyrazol-4-yl)methyl]-3-pyridinyl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethoxy-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-[[2-(2-methoxyethoxy)-1,3-thiazol-5-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 158697463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).