2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C191H183F29N42O22 — CID 159605602

IUPAC2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(F)n1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C.CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COCCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.COCCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COc1nn(C(C)C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COc1nn(C2CCC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C29H30F4N6O5.C29H30F4N6O4.C28H26F4N6O3.C27H26F4N6O3.C27H26F4N6O2.C26H24F4N6O3.C25H21F5N6O2/c1-41-9-10-43-8-7-39-17-20(27(37-39)42-2)12-24-34-15-21(16-35-24)18-3-4-19(22(30)11-18)13-26(40)36-25-14-23(44-38-25)28(5-6-28)29(31,32)33;1-18-21(17-39(37-18)7-8-42-10-9-41-2)12-25-34-15-22(16-35-25)19-3-4-20(23(30)11-19)13-27(40)36-26-14-24(43-38-26)28(5-6-28)29(31,32)33;1-40-26-18(15-38(36-26)20-3-2-4-20)10-23-33-13-19(14-34-23)16-5-6-17(21(29)9-16)11-25(39)35-24-12-22(41-37-24)27(7-8-27)28(30,31)32;1-15(2)37-14-18(25(35-37)39-3)9-22-32-12-19(13-33-22)16-4-5-17(20(28)8-16)10-24(38)34-23-11-21(40-36-23)26(6-7-26)27(29,30)31;1-3-8-37-16(2)19(15-34-37)10-23-32-13-20(14-33-23)17-4-5-18(21(28)9-17)11-25(38)35-24-12-22(39-36-24)26(6-7-26)27(29,30)31;1-3-36-14-17(24(34-36)38-2)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;1-14(26)36-12-18(33-13-36)8-21-31-10-17(11-32-21)15-2-3-16(19(27)6-15)7-23(37)34-22-9-20(38-35-22)24(4-5-24)25(28,29)30/h3-4,11,14-17H,5-10,12-13H2,1-2H3,(H,36,38,40);3-4,11,14-17H,5-10,12-13H2,1-2H3,(H,36,38,40);5-6,9,12-15,20H,2-4,7-8,10-11H2,1H3,(H,35,37,39);4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,34,36,38);4-5,9,12-15H,3,6-8,10-11H2,1-2H3,(H,35,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);2-3,6,9-14H,4-5,7-8H2,1H3,(H,34,35,37)
InChIKeyMMATYZXQXYJOCI-UHFFFAOYSA-N
MW3969.78 g/mol
LogP36.03
Rot. Bonds71

About 2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 159605602) has the molecular formula C191H183F29N42O22 and a molecular weight of 3969.78 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-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-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID159605602
Molecular FormulaC191H183F29N42O22
Molecular Weight3969.78 g/mol
Exact Mass3967.40
IUPAC Name2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(F)n1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C.CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COCCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.COCCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COc1nn(C(C)C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COc1nn(C2CCC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C29H30F4N6O5.C29H30F4N6O4.C28H26F4N6O3.C27H26F4N6O3.C27H26F4N6O2.C26H24F4N6O3.C25H21F5N6O2/c1-41-9-10-43-8-7-39-17-20(27(37-39)42-2)12-24-34-15-21(16-35-24)18-3-4-19(22(30)11-18)13-26(40)36-25-14-23(44-38-25)28(5-6-28)29(31,32)33;1-18-21(17-39(37-18)7-8-42-10-9-41-2)12-25-34-15-22(16-35-25)19-3-4-20(23(30)11-19)13-27(40)36-26-14-24(43-38-26)28(5-6-28)29(31,32)33;1-40-26-18(15-38(36-26)20-3-2-4-20)10-23-33-13-19(14-34-23)16-5-6-17(21(29)9-16)11-25(39)35-24-12-22(41-37-24)27(7-8-27)28(30,31)32;1-15(2)37-14-18(25(35-37)39-3)9-22-32-12-19(13-33-22)16-4-5-17(20(28)8-16)10-24(38)34-23-11-21(40-36-23)26(6-7-26)27(29,30)31;1-3-8-37-16(2)19(15-34-37)10-23-32-13-20(14-33-23)17-4-5-18(21(28)9-17)11-25(38)35-24-12-22(39-36-24)26(6-7-26)27(29,30)31;1-3-36-14-17(24(34-36)38-2)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;1-14(26)36-12-18(33-13-36)8-21-31-10-17(11-32-21)15-2-3-16(19(27)6-15)7-23(37)34-22-9-20(38-35-22)24(4-5-24)25(28,29)30/h3-4,11,14-17H,5-10,12-13H2,1-2H3,(H,36,38,40);3-4,11,14-17H,5-10,12-13H2,1-2H3,(H,36,38,40);5-6,9,12-15,20H,2-4,7-8,10-11H2,1H3,(H,35,37,39);4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,34,36,38);4-5,9,12-15H,3,6-8,10-11H2,1-2H3,(H,35,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);2-3,6,9-14H,4-5,7-8H2,1H3,(H,34,35,37)
InChIKeyMMATYZXQXYJOCI-UHFFFAOYSA-N
XLogP36.03
TPSA764.95 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds71
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003969.78
LogP ≤ 536.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Analyze 2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-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-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-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-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 159605602) is 2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-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-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-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-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CC(F)n1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C.CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COCCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C)n1.COCCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(OC)n1.COc1nn(C(C)C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.COc1nn(C2CCC2)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.
What is the InChIKey of 2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is MMATYZXQXYJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F4N6O5.C29H30F4N6O4.C28H26F4N6O3.C27H26F4N6O3.C27H26F4N6O2.C26H24F4N6O3.C25H21F5N6O2/c1-41-9-10-43-8-7-39-17-20(27(37-39)42-2)12-24-34-15-21(16-35-24)18-3-4-19(22(30)11-18)13-26(40)36-25-14-23(44-38-25)28(5-6-28)29(31,32)33;1-18-21(17-39(37-18)7-8-42-10-9-41-2)12-25-34-15-22(16-35-25)19-3-4-20(23(30)11-19)13-27(40)36-26-14-24(43-38-26)28(5-6-28)29(31,32)33;1-40-26-18(15-38(36-26)20-3-2-4-20)10-23-33-13-19(14-34-23)16-5-6-17(21(29)9-16)11-25(39)35-24-12-22(41-37-24)27(7-8-27)28(30,31)32;1-15(2)37-14-18(25(35-37)39-3)9-22-32-12-19(13-33-22)16-4-5-17(20(28)8-16)10-24(38)34-23-11-21(40-36-23)26(6-7-26)27(29,30)31;1-3-8-37-16(2)19(15-34-37)10-23-32-13-20(14-33-23)17-4-5-18(21(28)9-17)11-25(38)35-24-12-22(39-36-24)26(6-7-26)27(29,30)31;1-3-36-14-17(24(34-36)38-2)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;1-14(26)36-12-18(33-13-36)8-21-31-10-17(11-32-21)15-2-3-16(19(27)6-15)7-23(37)34-22-9-20(38-35-22)24(4-5-24)25(28,29)30/h3-4,11,14-17H,5-10,12-13H2,1-2H3,(H,36,38,40);3-4,11,14-17H,5-10,12-13H2,1-2H3,(H,36,38,40);5-6,9,12-15,20H,2-4,7-8,10-11H2,1H3,(H,35,37,39);4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,34,36,38);4-5,9,12-15H,3,6-8,10-11H2,1-2H3,(H,35,36,38);4-5,8,11-14H,3,6-7,9-10H2,1-2H3,(H,33,35,37);2-3,6,9-14H,4-5,7-8H2,1H3,(H,34,35,37).
What are the key properties of 2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-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 3969.78 g/mol, XLogP of 36.03, 71 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyclobutyl-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-ethyl-3-methoxypyrazol-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-(1-fluoroethyl)imidazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-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-[[3-methoxy-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(3-methoxy-1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-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 159605602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).