2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C181H160F28N42O16 — CID 158865296

IUPAC2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CN1Cc2c(Cc3ncc(-c4ccc(CC(=O)Nc5cc(C6(C(F)(F)F)CC6)on5)c(F)c4)cn3)cccc2C1=O.COc1nc(Cc2cn(C)nc2C)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.Cc1nc(Cc2cn(C)cn2)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(N)n1.[2H]C([2H])(C)n1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1
InChIInChI=1S/C29H23F4N5O3.C26H24F4N6O3.2C26H24F4N6O2.2C25H22F4N6O2.C24H21F4N7O2/c1-38-15-21-17(3-2-4-20(21)27(38)40)10-24-34-13-19(14-35-24)16-5-6-18(22(30)9-16)11-26(39)36-25-12-23(41-37-25)28(7-8-28)29(31,32)33;1-14-17(13-36(2)34-14)9-21-31-12-18(24(33-21)38-3)15-4-5-16(19(27)8-15)10-23(37)32-22-11-20(39-35-22)25(6-7-25)26(28,29)30;1-14-18(13-36(3)34-14)9-22-31-12-19(15(2)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;1-3-20-17(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;1-14-18(11-30-21(32-14)9-17-12-35(2)13-31-17)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-2-35-13-18(32-14-35)9-21-30-11-17(12-31-21)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-35-12-15(22(29)33-35)7-19-30-10-16(11-31-19)13-2-3-14(17(25)6-13)8-21(36)32-20-9-18(37-34-20)23(4-5-23)24(26,27)28/h2-6,9,12-14H,7-8,10-11,15H2,1H3,(H,36,37,39);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,32,35,37);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,33,35,37);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,33,34,36);3-4,7,10-14H,2,5-6,8-9H2,1H3,(H,33,34,36);2-3,6,9-12H,4-5,7-8H2,1H3,(H2,29,33)(H,32,34,36)/i;;;;;2D2;
InChIKeyJBDRSQIJOVJNQV-IKPXYSKRSA-N
MW3713.51 g/mol
LogP33.31
Rot. Bonds52

About 2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 158865296) has the molecular formula C181H160F28N42O16 and a molecular weight of 3713.51 g/mol. Its IUPAC name is 2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-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-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID158865296
Molecular FormulaC181H160F28N42O16
Molecular Weight3713.51 g/mol
Exact Mass3711.27
IUPAC Name2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CN1Cc2c(Cc3ncc(-c4ccc(CC(=O)Nc5cc(C6(C(F)(F)F)CC6)on5)c(F)c4)cn3)cccc2C1=O.COc1nc(Cc2cn(C)nc2C)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.Cc1nc(Cc2cn(C)cn2)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(N)n1.[2H]C([2H])(C)n1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1
InChIInChI=1S/C29H23F4N5O3.C26H24F4N6O3.2C26H24F4N6O2.2C25H22F4N6O2.C24H21F4N7O2/c1-38-15-21-17(3-2-4-20(21)27(38)40)10-24-34-13-19(14-35-24)16-5-6-18(22(30)9-16)11-26(39)36-25-12-23(41-37-25)28(7-8-28)29(31,32)33;1-14-17(13-36(2)34-14)9-21-31-12-18(24(33-21)38-3)15-4-5-16(19(27)8-15)10-23(37)32-22-11-20(39-35-22)25(6-7-25)26(28,29)30;1-14-18(13-36(3)34-14)9-22-31-12-19(15(2)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;1-3-20-17(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;1-14-18(11-30-21(32-14)9-17-12-35(2)13-31-17)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-2-35-13-18(32-14-35)9-21-30-11-17(12-31-21)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-35-12-15(22(29)33-35)7-19-30-10-16(11-31-19)13-2-3-14(17(25)6-13)8-21(36)32-20-9-18(37-34-20)23(4-5-23)24(26,27)28/h2-6,9,12-14H,7-8,10-11,15H2,1H3,(H,36,37,39);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,32,35,37);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,33,35,37);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,33,34,36);3-4,7,10-14H,2,5-6,8-9H2,1H3,(H,33,34,36);2-3,6,9-12H,4-5,7-8H2,1H3,(H2,29,33)(H,32,34,36)/i;;;;;2D2;
InChIKeyJBDRSQIJOVJNQV-IKPXYSKRSA-N
XLogP33.31
TPSA728.85 Ų
H-Bond Donors8
H-Bond Acceptors50
Rotatable Bonds52
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003713.51
LogP ≤ 533.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1050

Analyze 2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-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-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-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-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 158865296) is 2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-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-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-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-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CCc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CN1Cc2c(Cc3ncc(-c4ccc(CC(=O)Nc5cc(C6(C(F)(F)F)CC6)on5)c(F)c4)cn3)cccc2C1=O.COc1nc(Cc2cn(C)nc2C)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.Cc1nc(Cc2cn(C)cn2)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(N)n1.[2H]C([2H])(C)n1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1.
What is the InChIKey of 2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is JBDRSQIJOVJNQV-IKPXYSKRSA-N. The full InChI is InChI=1S/C29H23F4N5O3.C26H24F4N6O3.2C26H24F4N6O2.2C25H22F4N6O2.C24H21F4N7O2/c1-38-15-21-17(3-2-4-20(21)27(38)40)10-24-34-13-19(14-35-24)16-5-6-18(22(30)9-16)11-26(39)36-25-12-23(41-37-25)28(7-8-28)29(31,32)33;1-14-17(13-36(2)34-14)9-21-31-12-18(24(33-21)38-3)15-4-5-16(19(27)8-15)10-23(37)32-22-11-20(39-35-22)25(6-7-25)26(28,29)30;1-14-18(13-36(3)34-14)9-22-31-12-19(15(2)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;1-3-20-17(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;1-14-18(11-30-21(32-14)9-17-12-35(2)13-31-17)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-2-35-13-18(32-14-35)9-21-30-11-17(12-31-21)15-3-4-16(19(26)7-15)8-23(36)33-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-35-12-15(22(29)33-35)7-19-30-10-16(11-31-19)13-2-3-14(17(25)6-13)8-21(36)32-20-9-18(37-34-20)23(4-5-23)24(26,27)28/h2-6,9,12-14H,7-8,10-11,15H2,1H3,(H,36,37,39);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,32,35,37);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,33,35,37);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,33,34,36);3-4,7,10-14H,2,5-6,8-9H2,1H3,(H,33,34,36);2-3,6,9-12H,4-5,7-8H2,1H3,(H2,29,33)(H,32,34,36)/i;;;;;2D2;.
What are the key properties of 2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 3713.51 g/mol, XLogP of 33.31, 52 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-amino-1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(1,1-dideuterioethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(3-ethyl-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-[4-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyl-1-oxo-3H-isoindol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 158865296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).