N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride

C311H302BCl7N64O44P2PdS7 — CID 161167208

IUPACN-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Cl)cc(Cl)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(N)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)nc(N)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)nc(N)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)nc(NC(=O)OC(C)(C)C)n3)c2)cc1.CN(C)C/C=C/C(=O)O.CO.Cl.Cl[Pd]Cl.Nc1cccc(N)c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H41N9O6S.C36H33N9O4S.C35H30N8O7S.C35H32N8O5S.C30H29N9O2.C28H27N7O4S.C22H20ClN5O4S.C19H21BN2O4S.2C18H15P.C9H11Cl2N3O2.C7H4ClNO3.C6H8N2.C6H11NO2.CH4O.3ClH.Pd/c1-41(2,3)56-40(53)48-39-46-34(29-23-28-20-22-50(37(28)42-26-29)57(54,55)33-13-7-6-8-14-33)25-35(47-39)43-31-11-9-12-32(24-31)45-38(52)27-16-18-30(19-17-27)44-36(51)15-10-21-49(4)5;1-44(2)18-7-12-33(46)40-27-15-13-24(14-16-27)35(47)41-29-9-6-8-28(21-29)39-32-22-31(42-36(37)43-32)26-20-25-17-19-45(34(25)38-23-26)50(48,49)30-10-4-3-5-11-30;1-35(2,3)50-34(45)41-33-39-29(24-18-23-16-17-42(31(23)36-21-24)51(48,49)28-10-5-4-6-11-28)20-30(40-33)37-25-8-7-9-26(19-25)38-32(44)22-12-14-27(15-13-22)43(46)47;1-35(2,3)48-34(45)42-33-40-29(24-18-23-16-17-43(31(23)37-21-24)49(46,47)28-10-5-4-6-11-28)20-30(41-33)38-26-8-7-9-27(19-26)39-32(44)22-12-14-25(36)15-13-22;1-39(2)14-4-7-27(40)35-22-10-8-19(9-11-22)29(41)36-24-6-3-5-23(16-24)34-26-17-25(37-30(31)38-26)21-15-20-12-13-32-28(20)33-18-21;1-28(2,3)39-27(36)34-26-32-23(16-24(33-26)31-21-9-7-8-20(29)15-21)19-14-18-12-13-35(25(18)30-17-19)40(37,38)22-10-5-4-6-11-22;1-22(2,3)32-21(29)27-20-25-17(12-18(23)26-20)15-11-14-9-10-28(19(14)24-13-15)33(30,31)16-7-5-4-6-8-16;1-18(2)19(3,4)26-20(25-18)15-12-14-10-11-22(17(14)21-13-15)27(23,24)16-8-6-5-7-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2,3)16-8(15)14-7-12-5(10)4-6(11)13-7;8-7(10)5-1-3-6(4-2-5)9(11)12;7-5-2-1-3-6(8)4-5;1-7(2)5-3-4-6(8)9;1-2;;;;/h6-20,22-26H,21H2,1-5H3,(H,44,51)(H,45,52)(H2,43,46,47,48,53);3-17,19-23H,18H2,1-2H3,(H,40,46)(H,41,47)(H3,37,39,42,43);4-21H,1-3H3,(H,38,44)(H2,37,39,40,41,45);4-21H,36H2,1-3H3,(H,39,44)(H2,38,40,41,42,45);3-13,15-18H,14H2,1-2H3,(H,32,33)(H,35,40)(H,36,41)(H3,31,34,37,38);4-17H,29H2,1-3H3,(H2,31,32,33,34,36);4-13H,1-3H3,(H,25,26,27,29);5-13H,1-4H3;2*1-15H;4H,1-3H3,(H,12,13,14,15);1-4H;1-4H,7-8H2;3-4H,5H2,1-2H3,(H,8,9);2H,1H3;3*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2/b15-10+;12-7+;;;7-4+;;;;;;;;;4-3+;;;;;
InChIKeyKRFYVEWVFWZPLN-UAWRPKNKSA-L
MW6292.06 g/mol
LogP57.93
Rot. Bonds74

About N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride

N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride (PubChem CID 161167208) has the molecular formula C311H302BCl7N64O44P2PdS7 and a molecular weight of 6292.06 g/mol. Its IUPAC name is N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride
PubChem CID161167208
Molecular FormulaC311H302BCl7N64O44P2PdS7
Molecular Weight6292.06 g/mol
Exact Mass6283.78
IUPAC NameN-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Cl)cc(Cl)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(N)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)nc(N)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)nc(N)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)nc(NC(=O)OC(C)(C)C)n3)c2)cc1.CN(C)C/C=C/C(=O)O.CO.Cl.Cl[Pd]Cl.Nc1cccc(N)c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C41H41N9O6S.C36H33N9O4S.C35H30N8O7S.C35H32N8O5S.C30H29N9O2.C28H27N7O4S.C22H20ClN5O4S.C19H21BN2O4S.2C18H15P.C9H11Cl2N3O2.C7H4ClNO3.C6H8N2.C6H11NO2.CH4O.3ClH.Pd/c1-41(2,3)56-40(53)48-39-46-34(29-23-28-20-22-50(37(28)42-26-29)57(54,55)33-13-7-6-8-14-33)25-35(47-39)43-31-11-9-12-32(24-31)45-38(52)27-16-18-30(19-17-27)44-36(51)15-10-21-49(4)5;1-44(2)18-7-12-33(46)40-27-15-13-24(14-16-27)35(47)41-29-9-6-8-28(21-29)39-32-22-31(42-36(37)43-32)26-20-25-17-19-45(34(25)38-23-26)50(48,49)30-10-4-3-5-11-30;1-35(2,3)50-34(45)41-33-39-29(24-18-23-16-17-42(31(23)36-21-24)51(48,49)28-10-5-4-6-11-28)20-30(40-33)37-25-8-7-9-26(19-25)38-32(44)22-12-14-27(15-13-22)43(46)47;1-35(2,3)48-34(45)42-33-40-29(24-18-23-16-17-43(31(23)37-21-24)49(46,47)28-10-5-4-6-11-28)20-30(41-33)38-26-8-7-9-27(19-26)39-32(44)22-12-14-25(36)15-13-22;1-39(2)14-4-7-27(40)35-22-10-8-19(9-11-22)29(41)36-24-6-3-5-23(16-24)34-26-17-25(37-30(31)38-26)21-15-20-12-13-32-28(20)33-18-21;1-28(2,3)39-27(36)34-26-32-23(16-24(33-26)31-21-9-7-8-20(29)15-21)19-14-18-12-13-35(25(18)30-17-19)40(37,38)22-10-5-4-6-11-22;1-22(2,3)32-21(29)27-20-25-17(12-18(23)26-20)15-11-14-9-10-28(19(14)24-13-15)33(30,31)16-7-5-4-6-8-16;1-18(2)19(3,4)26-20(25-18)15-12-14-10-11-22(17(14)21-13-15)27(23,24)16-8-6-5-7-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2,3)16-8(15)14-7-12-5(10)4-6(11)13-7;8-7(10)5-1-3-6(4-2-5)9(11)12;7-5-2-1-3-6(8)4-5;1-7(2)5-3-4-6(8)9;1-2;;;;/h6-20,22-26H,21H2,1-5H3,(H,44,51)(H,45,52)(H2,43,46,47,48,53);3-17,19-23H,18H2,1-2H3,(H,40,46)(H,41,47)(H3,37,39,42,43);4-21H,1-3H3,(H,38,44)(H2,37,39,40,41,45);4-21H,36H2,1-3H3,(H,39,44)(H2,38,40,41,42,45);3-13,15-18H,14H2,1-2H3,(H,32,33)(H,35,40)(H,36,41)(H3,31,34,37,38);4-17H,29H2,1-3H3,(H2,31,32,33,34,36);4-13H,1-3H3,(H,25,26,27,29);5-13H,1-4H3;2*1-15H;4H,1-3H3,(H,12,13,14,15);1-4H;1-4H,7-8H2;3-4H,5H2,1-2H3,(H,8,9);2H,1H3;3*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2/b15-10+;12-7+;;;7-4+;;;;;;;;;4-3+;;;;;
InChIKeyKRFYVEWVFWZPLN-UAWRPKNKSA-L
XLogP57.93
TPSA1482.02 Ų
H-Bond Donors29
H-Bond Acceptors90
Rotatable Bonds74
Heavy Atoms437
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006292.06
LogP ≤ 557.93
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1090

Analyze N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride?
The IUPAC name of N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride (CID 161167208) is N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride.
What is the SMILES notation for N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride?
The canonical SMILES for N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride is CC(C)(C)OC(=O)Nc1nc(Cl)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Cl)cc(Cl)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(N)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC(C)(C)OC(=O)Nc1nc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)nc(N)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)nc(N)n3)c2)cc1.CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)nc(NC(=O)OC(C)(C)C)n3)c2)cc1.CN(C)C/C=C/C(=O)O.CO.Cl.Cl[Pd]Cl.Nc1cccc(N)c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride?
The InChIKey is KRFYVEWVFWZPLN-UAWRPKNKSA-L. The full InChI is InChI=1S/C41H41N9O6S.C36H33N9O4S.C35H30N8O7S.C35H32N8O5S.C30H29N9O2.C28H27N7O4S.C22H20ClN5O4S.C19H21BN2O4S.2C18H15P.C9H11Cl2N3O2.C7H4ClNO3.C6H8N2.C6H11NO2.CH4O.3ClH.Pd/c1-41(2,3)56-40(53)48-39-46-34(29-23-28-20-22-50(37(28)42-26-29)57(54,55)33-13-7-6-8-14-33)25-35(47-39)43-31-11-9-12-32(24-31)45-38(52)27-16-18-30(19-17-27)44-36(51)15-10-21-49(4)5;1-44(2)18-7-12-33(46)40-27-15-13-24(14-16-27)35(47)41-29-9-6-8-28(21-29)39-32-22-31(42-36(37)43-32)26-20-25-17-19-45(34(25)38-23-26)50(48,49)30-10-4-3-5-11-30;1-35(2,3)50-34(45)41-33-39-29(24-18-23-16-17-42(31(23)36-21-24)51(48,49)28-10-5-4-6-11-28)20-30(40-33)37-25-8-7-9-26(19-25)38-32(44)22-12-14-27(15-13-22)43(46)47;1-35(2,3)48-34(45)42-33-40-29(24-18-23-16-17-43(31(23)37-21-24)49(46,47)28-10-5-4-6-11-28)20-30(41-33)38-26-8-7-9-27(19-26)39-32(44)22-12-14-25(36)15-13-22;1-39(2)14-4-7-27(40)35-22-10-8-19(9-11-22)29(41)36-24-6-3-5-23(16-24)34-26-17-25(37-30(31)38-26)21-15-20-12-13-32-28(20)33-18-21;1-28(2,3)39-27(36)34-26-32-23(16-24(33-26)31-21-9-7-8-20(29)15-21)19-14-18-12-13-35(25(18)30-17-19)40(37,38)22-10-5-4-6-11-22;1-22(2,3)32-21(29)27-20-25-17(12-18(23)26-20)15-11-14-9-10-28(19(14)24-13-15)33(30,31)16-7-5-4-6-8-16;1-18(2)19(3,4)26-20(25-18)15-12-14-10-11-22(17(14)21-13-15)27(23,24)16-8-6-5-7-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2,3)16-8(15)14-7-12-5(10)4-6(11)13-7;8-7(10)5-1-3-6(4-2-5)9(11)12;7-5-2-1-3-6(8)4-5;1-7(2)5-3-4-6(8)9;1-2;;;;/h6-20,22-26H,21H2,1-5H3,(H,44,51)(H,45,52)(H2,43,46,47,48,53);3-17,19-23H,18H2,1-2H3,(H,40,46)(H,41,47)(H3,37,39,42,43);4-21H,1-3H3,(H,38,44)(H2,37,39,40,41,45);4-21H,36H2,1-3H3,(H,39,44)(H2,38,40,41,42,45);3-13,15-18H,14H2,1-2H3,(H,32,33)(H,35,40)(H,36,41)(H3,31,34,37,38);4-17H,29H2,1-3H3,(H2,31,32,33,34,36);4-13H,1-3H3,(H,25,26,27,29);5-13H,1-4H3;2*1-15H;4H,1-3H3,(H,12,13,14,15);1-4H;1-4H,7-8H2;3-4H,5H2,1-2H3,(H,8,9);2H,1H3;3*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2/b15-10+;12-7+;;;7-4+;;;;;;;;;4-3+;;;;;.
What are the key properties of N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride?
N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride has a molecular weight of 6292.06 g/mol, XLogP of 57.93, 74 rotatable bonds, 29 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;tert-butyl N-[4-(3-aminoanilino)-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[3-[(4-aminobenzoyl)amino]anilino]-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-chloropyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-6-[3-[(4-nitrobenzoyl)amino]anilino]pyrimidin-2-yl]carbamate;tert-butyl N-(4,6-dichloropyrimidin-2-yl)carbamate;dichloropalladium;(E)-4-(dimethylamino)but-2-enoic acid;methanol;4-nitrobenzoyl chloride;bis(triphenylphosphane);hydrochloride is sourced from PubChem (CID 161167208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).