2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide

C189H171F28N43O20 — CID 159558864

IUPAC2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.COc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(OC)n1.COc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.COc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1nc(Cc2cnn(C3CC3)c2C)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.O=C(Cc1ccc(-c2cnc(Cc3cn(C4CCC4)cn3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26F4N6O3.C28H26F4N6O2.C27H23F4N7O3.C27H24F4N6O3.C27H24F4N6O2.C26H24F4N6O4.C26H24F4N6O3/c1-15-20(13-33-23(34-15)10-18-14-38(19-5-6-19)36-26(18)40-2)16-3-4-17(21(29)9-16)11-25(39)35-24-12-22(41-37-24)27(7-8-27)28(30,31)32;1-15-21(14-33-24(35-15)10-19-13-34-38(16(19)2)20-5-6-20)17-3-4-18(22(29)9-17)11-26(39)36-25-12-23(40-37-25)27(7-8-27)28(30,31)32;1-3-23(39)35-25-17(14-38(2)36-25)9-21-32-12-18(13-33-21)15-4-5-16(19(28)8-15)10-24(40)34-22-11-20(41-37-22)26(6-7-26)27(29,30)31;1-39-25-17(14-37(35-25)19-4-5-19)9-22-32-12-18(13-33-22)15-2-3-16(20(28)8-15)10-24(38)34-23-11-21(40-36-23)26(6-7-26)27(29,30)31;28-21-8-16(18-12-32-23(33-13-18)10-19-14-37(15-34-19)20-2-1-3-20)4-5-17(21)9-25(38)35-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-36-13-16(23(34-36)38-2)9-20-31-12-17(24(33-20)39-3)14-4-5-15(18(27)8-14)10-22(37)32-21-11-19(40-35-21)25(6-7-25)26(28,29)30;1-14-18(12-31-21(32-14)9-17-13-36(2)34-24(17)38-3)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/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3,(H,35,37,39);3-4,9,12-14,20H,5-8,10-11H2,1-2H3,(H,36,37,39);3-5,8,11-14H,1,6-7,9-10H2,2H3,(H,34,37,40)(H,35,36,39);2-3,8,11-14,19H,4-7,9-10H2,1H3,(H,34,36,38);4-5,8,11-15,20H,1-3,6-7,9-10H2,(H,35,36,38);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)
InChIKeyMGIOXLUXSDAXGX-UHFFFAOYSA-N
MW3896.67 g/mol
LogP35.57
Rot. Bonds60

About 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide

2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide (PubChem CID 159558864) has the molecular formula C189H171F28N43O20 and a molecular weight of 3896.67 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide
PubChem CID159558864
Molecular FormulaC189H171F28N43O20
Molecular Weight3896.67 g/mol
Exact Mass3894.32
IUPAC Name2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.COc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(OC)n1.COc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.COc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1nc(Cc2cnn(C3CC3)c2C)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.O=C(Cc1ccc(-c2cnc(Cc3cn(C4CCC4)cn3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26F4N6O3.C28H26F4N6O2.C27H23F4N7O3.C27H24F4N6O3.C27H24F4N6O2.C26H24F4N6O4.C26H24F4N6O3/c1-15-20(13-33-23(34-15)10-18-14-38(19-5-6-19)36-26(18)40-2)16-3-4-17(21(29)9-16)11-25(39)35-24-12-22(41-37-24)27(7-8-27)28(30,31)32;1-15-21(14-33-24(35-15)10-19-13-34-38(16(19)2)20-5-6-20)17-3-4-18(22(29)9-17)11-26(39)36-25-12-23(40-37-25)27(7-8-27)28(30,31)32;1-3-23(39)35-25-17(14-38(2)36-25)9-21-32-12-18(13-33-21)15-4-5-16(19(28)8-15)10-24(40)34-22-11-20(41-37-22)26(6-7-26)27(29,30)31;1-39-25-17(14-37(35-25)19-4-5-19)9-22-32-12-18(13-33-22)15-2-3-16(20(28)8-15)10-24(38)34-23-11-21(40-36-23)26(6-7-26)27(29,30)31;28-21-8-16(18-12-32-23(33-13-18)10-19-14-37(15-34-19)20-2-1-3-20)4-5-17(21)9-25(38)35-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-36-13-16(23(34-36)38-2)9-20-31-12-17(24(33-20)39-3)14-4-5-15(18(27)8-14)10-22(37)32-21-11-19(40-35-21)25(6-7-25)26(28,29)30;1-14-18(12-31-21(32-14)9-17-13-36(2)34-24(17)38-3)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/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3,(H,35,37,39);3-4,9,12-14,20H,5-8,10-11H2,1-2H3,(H,36,37,39);3-5,8,11-14H,1,6-7,9-10H2,2H3,(H,34,37,40)(H,35,36,39);2-3,8,11-14,19H,4-7,9-10H2,1H3,(H,34,36,38);4-5,8,11-15,20H,1-3,6-7,9-10H2,(H,35,36,38);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)
InChIKeyMGIOXLUXSDAXGX-UHFFFAOYSA-N
XLogP35.57
TPSA766.36 Ų
H-Bond Donors8
H-Bond Acceptors55
Rotatable Bonds60
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003896.67
LogP ≤ 535.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1055

Analyze 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide?
The IUPAC name of 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide (CID 159558864) is 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide?
The canonical SMILES for 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide is C=CC(=O)Nc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.COc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(OC)n1.COc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)c(C)n1.COc1nn(C2CC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1nc(Cc2cnn(C3CC3)c2C)ncc1-c1ccc(CC(=O)Nc2cc(C3(C(F)(F)F)CC3)on2)c(F)c1.O=C(Cc1ccc(-c2cnc(Cc3cn(C4CCC4)cn3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide?
The InChIKey is MGIOXLUXSDAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N6O3.C28H26F4N6O2.C27H23F4N7O3.C27H24F4N6O3.C27H24F4N6O2.C26H24F4N6O4.C26H24F4N6O3/c1-15-20(13-33-23(34-15)10-18-14-38(19-5-6-19)36-26(18)40-2)16-3-4-17(21(29)9-16)11-25(39)35-24-12-22(41-37-24)27(7-8-27)28(30,31)32;1-15-21(14-33-24(35-15)10-19-13-34-38(16(19)2)20-5-6-20)17-3-4-18(22(29)9-17)11-26(39)36-25-12-23(40-37-25)27(7-8-27)28(30,31)32;1-3-23(39)35-25-17(14-38(2)36-25)9-21-32-12-18(13-33-21)15-4-5-16(19(28)8-15)10-24(40)34-22-11-20(41-37-22)26(6-7-26)27(29,30)31;1-39-25-17(14-37(35-25)19-4-5-19)9-22-32-12-18(13-33-22)15-2-3-16(20(28)8-15)10-24(38)34-23-11-21(40-36-23)26(6-7-26)27(29,30)31;28-21-8-16(18-12-32-23(33-13-18)10-19-14-37(15-34-19)20-2-1-3-20)4-5-17(21)9-25(38)35-24-11-22(39-36-24)26(6-7-26)27(29,30)31;1-36-13-16(23(34-36)38-2)9-20-31-12-17(24(33-20)39-3)14-4-5-15(18(27)8-14)10-22(37)32-21-11-19(40-35-21)25(6-7-25)26(28,29)30;1-14-18(12-31-21(32-14)9-17-13-36(2)34-24(17)38-3)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/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3,(H,35,37,39);3-4,9,12-14,20H,5-8,10-11H2,1-2H3,(H,36,37,39);3-5,8,11-14H,1,6-7,9-10H2,2H3,(H,34,37,40)(H,35,36,39);2-3,8,11-14,19H,4-7,9-10H2,1H3,(H,34,36,38);4-5,8,11-15,20H,1-3,6-7,9-10H2,(H,35,36,38);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).
What are the key properties of 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide?
2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide has a molecular weight of 3896.67 g/mol, XLogP of 35.57, 60 rotatable bonds, 8 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyclobutylimidazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-3-methoxypyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1-cyclopropyl-5-methylpyrazol-4-yl)methyl]-4-methylpyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[4-methoxy-2-[(3-methoxy-1-methylpyrazol-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-4-yl)methyl]-4-methylpyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-[4-[[5-[3-fluoro-4-[2-oxo-2-[[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrimidin-2-yl]methyl]-1-methylpyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 159558864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).