1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C202H175F24N49O16 — CID 161344108

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCn1cc(Cc2ncc(-c3cc(F)c(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(C)(F)F)on4)cc3)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)c(F)c3)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3)cn2)cn1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)c(F)c3)cn2)cn1.Cn1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c2ccccc21.O=C(Cc1ccc(-c2cnc(Cc3cnc4ccccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Nc3cnn4ccccc34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H22F4N6O2.C27H20F4N6O2.C26H19F4N7O2.C25H22F4N6O2.C25H23F3N6O2.C25H24F2N6O2.C24H25FN6O2.C22H20F2N6O2/c1-38-22-5-3-2-4-19(22)21(36-38)12-24-33-14-18(15-34-24)16-6-7-17(20(29)10-16)11-26(39)35-25-13-23(40-37-25)27(8-9-27)28(30,31)32;28-20-9-16(18-13-32-22(33-14-18)11-19-15-34-24-3-1-2-8-37(19)24)4-5-17(20)10-25(38)35-23-12-21(39-36-23)26(6-7-26)27(29,30)31;27-18-9-15(17-12-31-24(32-13-17)34-19-14-33-37-8-2-1-3-20(19)37)4-5-16(18)10-23(38)35-22-11-21(39-36-22)25(6-7-25)26(28,29)30;1-24(28,29)25(3-4-25)20-9-22(34-37-20)33-23(36)7-15-6-19(27)17(8-18(15)26)16-11-30-21(31-12-16)5-14-10-32-35(2)13-14;1-24(27,28)25(5-6-25)20-10-22(33-36-20)32-23(35)9-17-4-3-16(8-19(17)26)18-12-29-21(30-13-18)7-15-11-31-34(2)14-15;1-24(26,27)25(7-8-25)20-11-22(32-35-20)31-23(34)10-16-3-5-18(6-4-16)19-13-28-21(29-14-19)9-17-12-30-33(2)15-17;1-24(2,3)22-10-18(30-33-22)9-20(32)7-16-6-5-15(8-21(16)25)17-11-26-23(27-12-17)29-19-13-28-31(4)14-19;1-22(23,24)18-9-20(29-32-18)28-21(31)8-14-3-5-16(6-4-14)17-11-25-19(26-12-17)7-15-10-27-30(2)13-15/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,35,37,39);1-5,8-9,12-15H,6-7,10-11H2,(H,35,36,38);1-5,8-9,11-14H,6-7,10H2,(H,31,32,34)(H,35,36,38);6,8-13H,3-5,7H2,1-2H3,(H,33,34,36);3-4,8,10-14H,5-7,9H2,1-2H3,(H,32,33,35);3-6,11-15H,7-10H2,1-2H3,(H,31,32,34);5-6,8,10-14H,7,9H2,1-4H3,(H,26,27,29);3-6,9-13H,7-8H2,1-2H3,(H,28,29,31)
InChIKeyVNBLNLNQJDYLEF-UHFFFAOYSA-N
MW4000.90 g/mol
LogP37.78
Rot. Bonds59

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 161344108) has the molecular formula C202H175F24N49O16 and a molecular weight of 4000.90 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID161344108
Molecular FormulaC202H175F24N49O16
Molecular Weight4000.90 g/mol
Exact Mass3998.40
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCn1cc(Cc2ncc(-c3cc(F)c(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(C)(F)F)on4)cc3)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)c(F)c3)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3)cn2)cn1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)c(F)c3)cn2)cn1.Cn1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c2ccccc21.O=C(Cc1ccc(-c2cnc(Cc3cnc4ccccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Nc3cnn4ccccc34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H22F4N6O2.C27H20F4N6O2.C26H19F4N7O2.C25H22F4N6O2.C25H23F3N6O2.C25H24F2N6O2.C24H25FN6O2.C22H20F2N6O2/c1-38-22-5-3-2-4-19(22)21(36-38)12-24-33-14-18(15-34-24)16-6-7-17(20(29)10-16)11-26(39)35-25-13-23(40-37-25)27(8-9-27)28(30,31)32;28-20-9-16(18-13-32-22(33-14-18)11-19-15-34-24-3-1-2-8-37(19)24)4-5-17(20)10-25(38)35-23-12-21(39-36-23)26(6-7-26)27(29,30)31;27-18-9-15(17-12-31-24(32-13-17)34-19-14-33-37-8-2-1-3-20(19)37)4-5-16(18)10-23(38)35-22-11-21(39-36-22)25(6-7-25)26(28,29)30;1-24(28,29)25(3-4-25)20-9-22(34-37-20)33-23(36)7-15-6-19(27)17(8-18(15)26)16-11-30-21(31-12-16)5-14-10-32-35(2)13-14;1-24(27,28)25(5-6-25)20-10-22(33-36-20)32-23(35)9-17-4-3-16(8-19(17)26)18-12-29-21(30-13-18)7-15-11-31-34(2)14-15;1-24(26,27)25(7-8-25)20-11-22(32-35-20)31-23(34)10-16-3-5-18(6-4-16)19-13-28-21(29-14-19)9-17-12-30-33(2)15-17;1-24(2,3)22-10-18(30-33-22)9-20(32)7-16-6-5-15(8-21(16)25)17-11-26-23(27-12-17)29-19-13-28-31(4)14-19;1-22(23,24)18-9-20(29-32-18)28-21(31)8-14-3-5-16(6-4-14)17-11-25-19(26-12-17)7-15-10-27-30(2)13-15/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,35,37,39);1-5,8-9,12-15H,6-7,10-11H2,(H,35,36,38);1-5,8-9,11-14H,6-7,10H2,(H,31,32,34)(H,35,36,38);6,8-13H,3-5,7H2,1-2H3,(H,33,34,36);3-4,8,10-14H,5-7,9H2,1-2H3,(H,32,33,35);3-6,11-15H,7-10H2,1-2H3,(H,31,32,34);5-6,8,10-14H,7,9H2,1-4H3,(H,26,27,29);3-6,9-13H,7-8H2,1-2H3,(H,28,29,31)
InChIKeyVNBLNLNQJDYLEF-UHFFFAOYSA-N
XLogP37.78
TPSA800.83 Ų
H-Bond Donors9
H-Bond Acceptors58
Rotatable Bonds59
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004000.90
LogP ≤ 537.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1058

Analyze 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)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 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 161344108) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is Cn1cc(Cc2ncc(-c3cc(F)c(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(C)(F)F)on4)cc3)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)c(F)c3)cn2)cn1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3)cn2)cn1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Cc4cc(C(C)(C)C)on4)c(F)c3)cn2)cn1.Cn1nc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c2ccccc21.O=C(Cc1ccc(-c2cnc(Cc3cnc4ccccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Nc3cnn4ccccc34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is VNBLNLNQJDYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N6O2.C27H20F4N6O2.C26H19F4N7O2.C25H22F4N6O2.C25H23F3N6O2.C25H24F2N6O2.C24H25FN6O2.C22H20F2N6O2/c1-38-22-5-3-2-4-19(22)21(36-38)12-24-33-14-18(15-34-24)16-6-7-17(20(29)10-16)11-26(39)35-25-13-23(40-37-25)27(8-9-27)28(30,31)32;28-20-9-16(18-13-32-22(33-14-18)11-19-15-34-24-3-1-2-8-37(19)24)4-5-17(20)10-25(38)35-23-12-21(39-36-23)26(6-7-26)27(29,30)31;27-18-9-15(17-12-31-24(32-13-17)34-19-14-33-37-8-2-1-3-20(19)37)4-5-16(18)10-23(38)35-22-11-21(39-36-22)25(6-7-25)26(28,29)30;1-24(28,29)25(3-4-25)20-9-22(34-37-20)33-23(36)7-15-6-19(27)17(8-18(15)26)16-11-30-21(31-12-16)5-14-10-32-35(2)13-14;1-24(27,28)25(5-6-25)20-10-22(33-36-20)32-23(35)9-17-4-3-16(8-19(17)26)18-12-29-21(30-13-18)7-15-11-31-34(2)14-15;1-24(26,27)25(7-8-25)20-11-22(32-35-20)31-23(34)10-16-3-5-18(6-4-16)19-13-28-21(29-14-19)9-17-12-30-33(2)15-17;1-24(2,3)22-10-18(30-33-22)9-20(32)7-16-6-5-15(8-21(16)25)17-11-26-23(27-12-17)29-19-13-28-31(4)14-19;1-22(23,24)18-9-20(29-32-18)28-21(31)8-14-3-5-16(6-4-14)17-11-25-19(26-12-17)7-15-10-27-30(2)13-15/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,35,37,39);1-5,8-9,12-15H,6-7,10-11H2,(H,35,36,38);1-5,8-9,11-14H,6-7,10H2,(H,31,32,34)(H,35,36,38);6,8-13H,3-5,7H2,1-2H3,(H,33,34,36);3-4,8,10-14H,5-7,9H2,1-2H3,(H,32,33,35);3-6,11-15H,7-10H2,1-2H3,(H,31,32,34);5-6,8,10-14H,7,9H2,1-4H3,(H,26,27,29);3-6,9-13H,7-8H2,1-2H3,(H,28,29,31).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 4000.90 g/mol, XLogP of 37.78, 59 rotatable bonds, 9 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]propan-2-one;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2,5-difluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;N-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylindazol-3-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 161344108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).