sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride

C199H216Cl2F2N43NaO27S5 — CID 158868467

IUPACsodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CN(C)C/C=C/C(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)ncn3)c2)CC1.CN(C)C/C=C/C(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.CN(C)C/C=C/C(=O)O.Cl.NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.Nc1cccc(CC(=O)O)c1.O=C(O)Cc1cccc(Nc2cc(-c3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)ncn2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(-c3cc(Cl)ncn3)cnc21.[2H]CF.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C36H38N8O4S.C35H37N7O5S.C30H34N8O2.C30H29N7O3S.C25H19N5O4S.C17H11ClN4O2S.C10H20N2O2.C8H9NO2.C6H11NO2.2CH3F.ClH.Na.H2O/c1-42(2)16-7-12-34(45)41-29-14-17-43(18-15-29)35(46)21-26-8-6-9-30(20-26)40-33-23-32(38-25-39-33)28-22-27-13-19-44(36(27)37-24-28)49(47,48)31-10-4-3-5-11-31;1-35(2,3)47-34(44)40-27-13-15-41(16-14-27)32(43)19-24-8-7-9-28(18-24)39-31-21-30(37-23-38-31)26-20-25-12-17-42(33(25)36-22-26)48(45,46)29-10-5-4-6-11-29;1-37(2)12-4-7-28(39)36-24-9-13-38(14-10-24)29(40)16-21-5-3-6-25(15-21)35-27-18-26(33-20-34-27)23-17-22-8-11-31-30(22)32-19-23;31-24-10-12-36(13-11-24)29(38)16-21-5-4-6-25(15-21)35-28-18-27(33-20-34-28)23-17-22-9-14-37(30(22)32-19-23)41(39,40)26-7-2-1-3-8-26;31-24(32)12-17-5-4-6-20(11-17)29-23-14-22(27-16-28-23)19-13-18-9-10-30(25(18)26-15-19)35(33,34)21-7-2-1-3-8-21;18-16-9-15(20-11-21-16)13-8-12-6-7-22(17(12)19-10-13)25(23,24)14-4-2-1-3-5-14;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-7-3-1-2-6(4-7)5-8(10)11;1-7(2)5-3-4-6(8)9;2*1-2;;;/h3-13,19-20,22-25,29H,14-18,21H2,1-2H3,(H,41,45)(H,38,39,40);4-12,17-18,20-23,27H,13-16,19H2,1-3H3,(H,40,44)(H,37,38,39);3-8,11,15,17-20,24H,9-10,12-14,16H2,1-2H3,(H,31,32)(H,36,39)(H,33,34,35);1-9,14-15,17-20,24H,10-13,16,31H2,(H,33,34,35);1-11,13-16H,12H2,(H,31,32)(H,27,28,29);1-11H;8,11H,4-7H2,1-3H3,(H,12,13);1-4H,5,9H2,(H,10,11);3-4H,5H2,1-2H3,(H,8,9);2*1H3;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/b12-7+;;7-4+;;;;;;4-3+;;;;;/i;;;;;;;;;2*1D;;;
InChIKeyXCGPGICFQKHIGO-SWPOYQTGSA-M
MW3936.43 g/mol
LogP25.52
Rot. Bonds51

About sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride

sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride (PubChem CID 158868467) has the molecular formula C199H216Cl2F2N43NaO27S5 and a molecular weight of 3936.43 g/mol. Its IUPAC name is sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride
PubChem CID158868467
Molecular FormulaC199H216Cl2F2N43NaO27S5
Molecular Weight3936.43 g/mol
Exact Mass3932.48
IUPAC Namesodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CN(C)C/C=C/C(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)ncn3)c2)CC1.CN(C)C/C=C/C(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.CN(C)C/C=C/C(=O)O.Cl.NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.Nc1cccc(CC(=O)O)c1.O=C(O)Cc1cccc(Nc2cc(-c3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)ncn2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(-c3cc(Cl)ncn3)cnc21.[2H]CF.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C36H38N8O4S.C35H37N7O5S.C30H34N8O2.C30H29N7O3S.C25H19N5O4S.C17H11ClN4O2S.C10H20N2O2.C8H9NO2.C6H11NO2.2CH3F.ClH.Na.H2O/c1-42(2)16-7-12-34(45)41-29-14-17-43(18-15-29)35(46)21-26-8-6-9-30(20-26)40-33-23-32(38-25-39-33)28-22-27-13-19-44(36(27)37-24-28)49(47,48)31-10-4-3-5-11-31;1-35(2,3)47-34(44)40-27-13-15-41(16-14-27)32(43)19-24-8-7-9-28(18-24)39-31-21-30(37-23-38-31)26-20-25-12-17-42(33(25)36-22-26)48(45,46)29-10-5-4-6-11-29;1-37(2)12-4-7-28(39)36-24-9-13-38(14-10-24)29(40)16-21-5-3-6-25(15-21)35-27-18-26(33-20-34-27)23-17-22-8-11-31-30(22)32-19-23;31-24-10-12-36(13-11-24)29(38)16-21-5-4-6-25(15-21)35-28-18-27(33-20-34-28)23-17-22-9-14-37(30(22)32-19-23)41(39,40)26-7-2-1-3-8-26;31-24(32)12-17-5-4-6-20(11-17)29-23-14-22(27-16-28-23)19-13-18-9-10-30(25(18)26-15-19)35(33,34)21-7-2-1-3-8-21;18-16-9-15(20-11-21-16)13-8-12-6-7-22(17(12)19-10-13)25(23,24)14-4-2-1-3-5-14;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-7-3-1-2-6(4-7)5-8(10)11;1-7(2)5-3-4-6(8)9;2*1-2;;;/h3-13,19-20,22-25,29H,14-18,21H2,1-2H3,(H,41,45)(H,38,39,40);4-12,17-18,20-23,27H,13-16,19H2,1-3H3,(H,40,44)(H,37,38,39);3-8,11,15,17-20,24H,9-10,12-14,16H2,1-2H3,(H,31,32)(H,36,39)(H,33,34,35);1-9,14-15,17-20,24H,10-13,16,31H2,(H,33,34,35);1-11,13-16H,12H2,(H,31,32)(H,27,28,29);1-11H;8,11H,4-7H2,1-3H3,(H,12,13);1-4H,5,9H2,(H,10,11);3-4H,5H2,1-2H3,(H,8,9);2*1H3;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/b12-7+;;7-4+;;;;;;4-3+;;;;;/i;;;;;;;;;2*1D;;;
InChIKeyXCGPGICFQKHIGO-SWPOYQTGSA-M
XLogP25.52
TPSA935.10 Ų
H-Bond Donors16
H-Bond Acceptors58
Rotatable Bonds51
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003936.43
LogP ≤ 525.52
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1058

Analyze sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride with MolForge

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Related Compounds

CID 161971527
CID 161971527
(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;benzyl N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;benzyl N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;benzyl N-(2,4-difluoro-3-formylphenyl)carbamate;benzyl N-(2,4-difluorophenyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3,5-difluorobenzenesulfonamide;2,4-difluoroaniline;3,5-difluorobenzenesulfonyl chloride
CID 157053457
(E)-N-[4-[2-[3-[[2-amino-6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]acetyl]phenyl]-4-(dimethylamino)but-2-enamide;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;tert-butyl N-[4-[[3-[2-(4-aminophenyl)-2-oxoethyl]phenyl]methyl]-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-[3-[[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzoyl]amino]anilino]pyrimidin-2-yl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;hydrochloride
CID 157167583
3-amino-N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;benzene-1,3-diamine;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;N-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide;3-N-[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]benzene-1,3-diamine;tert-butyl N-[3-[[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]carbamoyl]cyclohexyl]carbamate;(E)-4-(dimethylamino)but-2-enoic acid;3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]cyclohexane-1-carboxamide;3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid;dihydrochloride
CID 157214043
sodium;N-(4-aminocyclohexyl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetamide;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[4-[[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]amino]cyclohexyl]-4-(dimethylamino)but-2-enamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]amino]cyclohexyl]carbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[4-[[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]amino]cyclohexyl]but-2-enamide;hydroxide;hydrochloride
CID 157846419
potassium;4-aminobenzamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate;4-[[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydroxyazanide;bis(2-isocyanoacetyl chloride);4-[[7-(4-methylphenyl)sulfonyl-4-(piperidin-4-ylamino)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-(piperidin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 158132956
2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one
CID 158193792
sodium;1-(4-aminocyclohexyl)-3-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]propan-2-one;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]acetic acid;(E)-N-[4-[3-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]-2-oxopropyl]cyclohexyl]-4-(dimethylamino)but-2-enamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[3-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]-2-oxopropyl]cyclohexyl]carbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[4-[2-oxo-3-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]methyl]phenyl]propyl]cyclohexyl]but-2-enamide;hydroxide;hydrochloride
CID 158640795
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-one;7-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;7-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-oxa-3-azaspiro[4.5]decan-2-one;7-[[2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoropyrimidin-4-yl]amino]-3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;7-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one;ethyl 2-[(1R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-hydroxycyclohexyl]acetate
CID 158924076
6-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3,5-difluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyridin-2-amine;cis-methyl (1R,3S)-3-[[4-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-isocyanopyrimidin-2-yl]methyl]cyclohexane-1-carboxylate;cis-methyl (1S,2R)-2-[[4-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-methylpyrimidin-2-yl]methyl]cyclohexane-1-carboxylate;2-[(1R,3S)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-methyl-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;methyl (2R,3R)-3-[[4-chloro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1,3,5-triazin-2-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate
CID 159024152
CID 159065846
CID 159065846
sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]acetic acid;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]methyl]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-5-methylhex-2-enoic acid;hydroxide;hydrochloride
CID 159660177

Frequently Asked Questions

What is the IUPAC name of sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride?
The IUPAC name of sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride (CID 158868467) is sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride.
What is the SMILES notation for sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride?
The canonical SMILES for sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride is CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CN(C)C/C=C/C(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)ncn3)c2)CC1.CN(C)C/C=C/C(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.CN(C)C/C=C/C(=O)O.Cl.NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5c(ccn5S(=O)(=O)c5ccccc5)c4)ncn3)c2)CC1.Nc1cccc(CC(=O)O)c1.O=C(O)Cc1cccc(Nc2cc(-c3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)ncn2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(-c3cc(Cl)ncn3)cnc21.[2H]CF.[2H]CF.[Na+].[OH-].
What is the InChIKey of sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride?
The InChIKey is XCGPGICFQKHIGO-SWPOYQTGSA-M. The full InChI is InChI=1S/C36H38N8O4S.C35H37N7O5S.C30H34N8O2.C30H29N7O3S.C25H19N5O4S.C17H11ClN4O2S.C10H20N2O2.C8H9NO2.C6H11NO2.2CH3F.ClH.Na.H2O/c1-42(2)16-7-12-34(45)41-29-14-17-43(18-15-29)35(46)21-26-8-6-9-30(20-26)40-33-23-32(38-25-39-33)28-22-27-13-19-44(36(27)37-24-28)49(47,48)31-10-4-3-5-11-31;1-35(2,3)47-34(44)40-27-13-15-41(16-14-27)32(43)19-24-8-7-9-28(18-24)39-31-21-30(37-23-38-31)26-20-25-12-17-42(33(25)36-22-26)48(45,46)29-10-5-4-6-11-29;1-37(2)12-4-7-28(39)36-24-9-13-38(14-10-24)29(40)16-21-5-3-6-25(15-21)35-27-18-26(33-20-34-27)23-17-22-8-11-31-30(22)32-19-23;31-24-10-12-36(13-11-24)29(38)16-21-5-4-6-25(15-21)35-28-18-27(33-20-34-28)23-17-22-9-14-37(30(22)32-19-23)41(39,40)26-7-2-1-3-8-26;31-24(32)12-17-5-4-6-20(11-17)29-23-14-22(27-16-28-23)19-13-18-9-10-30(25(18)26-15-19)35(33,34)21-7-2-1-3-8-21;18-16-9-15(20-11-21-16)13-8-12-6-7-22(17(12)19-10-13)25(23,24)14-4-2-1-3-5-14;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;9-7-3-1-2-6(4-7)5-8(10)11;1-7(2)5-3-4-6(8)9;2*1-2;;;/h3-13,19-20,22-25,29H,14-18,21H2,1-2H3,(H,41,45)(H,38,39,40);4-12,17-18,20-23,27H,13-16,19H2,1-3H3,(H,40,44)(H,37,38,39);3-8,11,15,17-20,24H,9-10,12-14,16H2,1-2H3,(H,31,32)(H,36,39)(H,33,34,35);1-9,14-15,17-20,24H,10-13,16,31H2,(H,33,34,35);1-11,13-16H,12H2,(H,31,32)(H,27,28,29);1-11H;8,11H,4-7H2,1-3H3,(H,12,13);1-4H,5,9H2,(H,10,11);3-4H,5H2,1-2H3,(H,8,9);2*1H3;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/b12-7+;;7-4+;;;;;;4-3+;;;;;/i;;;;;;;;;2*1D;;;.
What are the key properties of sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride?
sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride has a molecular weight of 3936.43 g/mol, XLogP of 25.52, 51 rotatable bonds, 16 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(3-aminophenyl)acetic acid;1-(4-aminopiperidin-1-yl)-2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]ethanone;1-(benzenesulfonyl)-5-(6-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine;2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetic acid;(E)-N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]-4-(dimethylamino)but-2-enamide;tert-butyl N-[1-[2-[3-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;deuterio(fluoro)methane;(E)-4-(dimethylamino)but-2-enoic acid;(E)-4-(dimethylamino)-N-[1-[2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]piperidin-4-yl]but-2-enamide;hydroxide;hydrochloride is sourced from PubChem (CID 158868467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).