tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane

C261H286B5Cl2F38I3N24O36S3Si2 — CID 163754070

IUPACtert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane
SMILESC#C[Si](C)(C)C.C#Cc1cc2ccccc2[nH]1.CC1(C)OB(/C(CC(F)(F)F)=C(\B2OC(C)(C)C(C)(C)O2)c2cc3ccccc3[nH]2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)C(=O)/C=C/CCCCOc1ccc(/C(C2=C(Cl)c3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=C(Cl)c3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=Cc3ccccc3C2)=C(/CC(F)(F)F)B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=Cc3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.C[Si](C)(C)C#Cc1cc2ccccc2n1S(=O)(=O)C(F)(F)F.FC(F)(F)CC#Cc1cc2ccccc2[nH]1.FC(F)(F)CI.Fc1cncc(F)c1I.O=C1Cc2ccccc2N1.O=S(=O)(Oc1cc2ccccc2n1S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C37H47BF3N3O6.C36H36ClF5N4O4.C36H37F5N4O4.C32H29ClF5N3O2.C24H32B2F3NO4.C18H26IN3O4.C14H14F3NO2SSi.C12H24B2O4.C12H8F3N.C10H5F6NO5S2.C10H7N.C8H7NO.C5H2F2IN.C5H10Si.C2H2F3I/c1-34(2,3)48-33(46)44(18-12-15-31(45)43(8)9)19-20-47-30-17-16-27(24-42-30)32(28-21-25-13-10-11-14-26(25)22-28)29(23-37(39,40)41)38-49-35(4,5)36(6,7)50-38;1-35(2,3)50-34(48)46(14-8-11-30(47)45(4)5)15-16-49-29-13-12-23(19-44-29)31(25-17-22-9-6-7-10-24(22)33(25)37)26(18-36(40,41)42)32-27(38)20-43-21-28(32)39;1-35(2,3)49-34(47)45(14-8-11-31(46)44(4)5)15-16-48-30-13-12-25(20-43-30)32(26-17-23-9-6-7-10-24(23)18-26)27(19-36(39,40)41)33-28(37)21-42-22-29(33)38;1-41(2)28(42)11-5-3-4-8-14-43-27-13-12-21(17-40-27)29(23-15-20-9-6-7-10-22(20)31(23)33)24(16-32(36,37)38)30-25(34)18-39-19-26(30)35;1-20(2)21(3,4)32-25(31-20)16(14-24(27,28)29)19(26-33-22(5,6)23(7,8)34-26)18-13-15-11-9-10-12-17(15)30-18;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-22(2,3)9-8-12-10-11-6-4-5-7-13(11)18(12)21(19,20)14(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12(14,15)7-3-5-10-8-9-4-1-2-6-11(9)16-10;11-9(12,13)23(18,19)17-7-4-2-1-3-6(7)5-8(17)22-24(20,21)10(14,15)16;1-2-9-7-8-5-3-4-6-10(8)11-9;10-8-5-6-3-1-2-4-7(6)9-8;6-3-1-9-2-4(7)5(3)8;1-5-6(2,3)4;3-2(4,5)1-6/h10-17,21,24H,18-20,22-23H2,1-9H3;6-13,19-21H,14-18H2,1-5H3;6-13,17,20-22H,14-16,18-19H2,1-5H3;5-7,9-13,17-19H,3-4,8,14-16H2,1-2H3;9-13,30H,14H2,1-8H3;6-9,13H,10-12H2,1-5H3;4-7,10H,1-3H3;1-8H3;1-2,4,6,8,16H,7H2;1-5H;1,3-7,11H;1-4H,5H2,(H,9,10);1-2H;1H,2-4H3;1H2/b15-12+,32-29+;11-8+,31-26+;11-8+,32-27+;11-5+,29-24+;19-16-;7-6+;;;;;;;;;
InChIKeyLSMUUXXAPNIBRV-DGZSKPNSSA-N
MW5715.27 g/mol
LogP60.65
Rot. Bonds60

About tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane

tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane (PubChem CID 163754070) has the molecular formula C261H286B5Cl2F38I3N24O36S3Si2 and a molecular weight of 5715.27 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane
PubChem CID163754070
Molecular FormulaC261H286B5Cl2F38I3N24O36S3Si2
Molecular Weight5715.27 g/mol
Exact Mass5711.64
IUPAC Nametert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane
SMILESC#C[Si](C)(C)C.C#Cc1cc2ccccc2[nH]1.CC1(C)OB(/C(CC(F)(F)F)=C(\B2OC(C)(C)C(C)(C)O2)c2cc3ccccc3[nH]2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)C(=O)/C=C/CCCCOc1ccc(/C(C2=C(Cl)c3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=C(Cl)c3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=Cc3ccccc3C2)=C(/CC(F)(F)F)B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=Cc3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.C[Si](C)(C)C#Cc1cc2ccccc2n1S(=O)(=O)C(F)(F)F.FC(F)(F)CC#Cc1cc2ccccc2[nH]1.FC(F)(F)CI.Fc1cncc(F)c1I.O=C1Cc2ccccc2N1.O=S(=O)(Oc1cc2ccccc2n1S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C37H47BF3N3O6.C36H36ClF5N4O4.C36H37F5N4O4.C32H29ClF5N3O2.C24H32B2F3NO4.C18H26IN3O4.C14H14F3NO2SSi.C12H24B2O4.C12H8F3N.C10H5F6NO5S2.C10H7N.C8H7NO.C5H2F2IN.C5H10Si.C2H2F3I/c1-34(2,3)48-33(46)44(18-12-15-31(45)43(8)9)19-20-47-30-17-16-27(24-42-30)32(28-21-25-13-10-11-14-26(25)22-28)29(23-37(39,40)41)38-49-35(4,5)36(6,7)50-38;1-35(2,3)50-34(48)46(14-8-11-30(47)45(4)5)15-16-49-29-13-12-23(19-44-29)31(25-17-22-9-6-7-10-24(22)33(25)37)26(18-36(40,41)42)32-27(38)20-43-21-28(32)39;1-35(2,3)49-34(47)45(14-8-11-31(46)44(4)5)15-16-48-30-13-12-25(20-43-30)32(26-17-23-9-6-7-10-24(23)18-26)27(19-36(39,40)41)33-28(37)21-42-22-29(33)38;1-41(2)28(42)11-5-3-4-8-14-43-27-13-12-21(17-40-27)29(23-15-20-9-6-7-10-22(20)31(23)33)24(16-32(36,37)38)30-25(34)18-39-19-26(30)35;1-20(2)21(3,4)32-25(31-20)16(14-24(27,28)29)19(26-33-22(5,6)23(7,8)34-26)18-13-15-11-9-10-12-17(15)30-18;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-22(2,3)9-8-12-10-11-6-4-5-7-13(11)18(12)21(19,20)14(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12(14,15)7-3-5-10-8-9-4-1-2-6-11(9)16-10;11-9(12,13)23(18,19)17-7-4-2-1-3-6(7)5-8(17)22-24(20,21)10(14,15)16;1-2-9-7-8-5-3-4-6-10(8)11-9;10-8-5-6-3-1-2-4-7(6)9-8;6-3-1-9-2-4(7)5(3)8;1-5-6(2,3)4;3-2(4,5)1-6/h10-17,21,24H,18-20,22-23H2,1-9H3;6-13,19-21H,14-18H2,1-5H3;6-13,17,20-22H,14-16,18-19H2,1-5H3;5-7,9-13,17-19H,3-4,8,14-16H2,1-2H3;9-13,30H,14H2,1-8H3;6-9,13H,10-12H2,1-5H3;4-7,10H,1-3H3;1-8H3;1-2,4,6,8,16H,7H2;1-5H;1,3-7,11H;1-4H,5H2,(H,9,10);1-2H;1H,2-4H3;1H2/b15-12+,32-29+;11-8+,31-26+;11-8+,32-27+;11-5+,29-24+;19-16-;7-6+;;;;;;;;;
InChIKeyLSMUUXXAPNIBRV-DGZSKPNSSA-N
XLogP60.65
TPSA672.15 Ų
H-Bond Donors4
H-Bond Acceptors47
Rotatable Bonds60
Heavy Atoms374
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005715.27
LogP ≤ 560.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1047

Analyze tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane?
The IUPAC name of tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane (CID 163754070) is tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane.
What is the SMILES notation for tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane?
The canonical SMILES for tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane is C#C[Si](C)(C)C.C#Cc1cc2ccccc2[nH]1.CC1(C)OB(/C(CC(F)(F)F)=C(\B2OC(C)(C)C(C)(C)O2)c2cc3ccccc3[nH]2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN(C)C(=O)/C=C/CCCCOc1ccc(/C(C2=C(Cl)c3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=C(Cl)c3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=Cc3ccccc3C2)=C(/CC(F)(F)F)B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(C2=Cc3ccccc3C2)=C(/CC(F)(F)F)c2c(F)cncc2F)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.C[Si](C)(C)C#Cc1cc2ccccc2n1S(=O)(=O)C(F)(F)F.FC(F)(F)CC#Cc1cc2ccccc2[nH]1.FC(F)(F)CI.Fc1cncc(F)c1I.O=C1Cc2ccccc2N1.O=S(=O)(Oc1cc2ccccc2n1S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane?
The InChIKey is LSMUUXXAPNIBRV-DGZSKPNSSA-N. The full InChI is InChI=1S/C37H47BF3N3O6.C36H36ClF5N4O4.C36H37F5N4O4.C32H29ClF5N3O2.C24H32B2F3NO4.C18H26IN3O4.C14H14F3NO2SSi.C12H24B2O4.C12H8F3N.C10H5F6NO5S2.C10H7N.C8H7NO.C5H2F2IN.C5H10Si.C2H2F3I/c1-34(2,3)48-33(46)44(18-12-15-31(45)43(8)9)19-20-47-30-17-16-27(24-42-30)32(28-21-25-13-10-11-14-26(25)22-28)29(23-37(39,40)41)38-49-35(4,5)36(6,7)50-38;1-35(2,3)50-34(48)46(14-8-11-30(47)45(4)5)15-16-49-29-13-12-23(19-44-29)31(25-17-22-9-6-7-10-24(22)33(25)37)26(18-36(40,41)42)32-27(38)20-43-21-28(32)39;1-35(2,3)49-34(47)45(14-8-11-31(46)44(4)5)15-16-48-30-13-12-25(20-43-30)32(26-17-23-9-6-7-10-24(23)18-26)27(19-36(39,40)41)33-28(37)21-42-22-29(33)38;1-41(2)28(42)11-5-3-4-8-14-43-27-13-12-21(17-40-27)29(23-15-20-9-6-7-10-22(20)31(23)33)24(16-32(36,37)38)30-25(34)18-39-19-26(30)35;1-20(2)21(3,4)32-25(31-20)16(14-24(27,28)29)19(26-33-22(5,6)23(7,8)34-26)18-13-15-11-9-10-12-17(15)30-18;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-22(2,3)9-8-12-10-11-6-4-5-7-13(11)18(12)21(19,20)14(15,16)17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12(14,15)7-3-5-10-8-9-4-1-2-6-11(9)16-10;11-9(12,13)23(18,19)17-7-4-2-1-3-6(7)5-8(17)22-24(20,21)10(14,15)16;1-2-9-7-8-5-3-4-6-10(8)11-9;10-8-5-6-3-1-2-4-7(6)9-8;6-3-1-9-2-4(7)5(3)8;1-5-6(2,3)4;3-2(4,5)1-6/h10-17,21,24H,18-20,22-23H2,1-9H3;6-13,19-21H,14-18H2,1-5H3;6-13,17,20-22H,14-16,18-19H2,1-5H3;5-7,9-13,17-19H,3-4,8,14-16H2,1-2H3;9-13,30H,14H2,1-8H3;6-9,13H,10-12H2,1-5H3;4-7,10H,1-3H3;1-8H3;1-2,4,6,8,16H,7H2;1-5H;1,3-7,11H;1-4H,5H2,(H,9,10);1-2H;1H,2-4H3;1H2/b15-12+,32-29+;11-8+,31-26+;11-8+,32-27+;11-5+,29-24+;19-16-;7-6+;;;;;;;;;.
What are the key properties of tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane?
tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane has a molecular weight of 5715.27 g/mol, XLogP of 60.65, 60 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[2-[[5-[(Z)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluoro-1-(1H-inden-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(E)-4,4,4-trifluoro-1-(1H-inden-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;(E)-7-[[5-[(E)-1-(3-chloro-1H-inden-2-yl)-2-(3,5-difluoro-4-pyridinyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;3,5-difluoro-4-iodopyridine;1,3-dihydroindol-2-one;2-ethynyl-1H-indole;ethynyl(trimethyl)silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2-[(Z)-4,4,4-trifluoro-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1H-indole;2-(4,4,4-trifluorobut-1-ynyl)-1H-indole;1,1,1-trifluoro-2-iodoethane;[1-(trifluoromethylsulfonyl)indol-2-yl] trifluoromethanesulfonate;trimethyl-[2-[1-(trifluoromethylsulfonyl)indol-2-yl]ethynyl]silane is sourced from PubChem (CID 163754070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).