About N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 163498130) has the molecular formula C112H77F15N24O9S8
and a molecular weight of 2444.51 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (CID 163498130) is N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is Nc1nccc(-c2sc(-c3ccc(C(F)(F)F)cc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.Nc1nccc(-c2sc(-c3cccc(N4CCC4)n3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.Nc1nccc(-c2sc(-c3ccccc3)nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1.O=S(=O)(Nc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)c1F)c1c(F)cccc1F.
What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is CSLFWPCBNFHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F3N7O3S2.C27H20F3N7O2S2.C26H15F6N5O2S2.C25H16F3N5O2S2/c35-24-9-5-10-25(36)32(24)49(45,46)43-26-11-4-8-23(29(26)37)30-31(48-33(42-30)21-6-2-1-3-7-21)27-14-15-38-34(41-27)40-22-12-13-28(39-20-22)44-16-18-47-19-17-44;28-16-6-2-7-17(29)25(16)41(38,39)36-18-8-1-5-15(22(18)30)23-24(19-11-12-32-27(31)34-19)40-26(35-23)20-9-3-10-21(33-20)37-13-4-14-37;27-16-4-2-5-17(28)23(16)41(38,39)37-18-6-1-3-15(20(18)29)21-22(19-11-12-34-25(33)35-19)40-24(36-21)13-7-9-14(10-8-13)26(30,31)32;26-16-9-5-10-17(27)23(16)37(34,35)33-18-11-4-8-15(20(18)28)21-22(19-12-13-30-25(29)31-19)36-24(32-21)14-6-2-1-3-7-14/h1-15,20,43H,16-19H2,(H,38,40,41);1-3,5-12,36H,4,13-14H2,(H2,31,32,34);1-12,37H,(H2,33,34,35);1-13,33H,(H2,29,30,31).
What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 2444.51 g/mol, XLogP of 24.95, 28 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminopyrimidin-4-yl)-2-[6-(azetidin-1-yl)-2-pyridinyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-(2-aminopyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;2,6-difluoro-N-[2-fluoro-3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 163498130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).