lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate

C130H188AlCl2LiN30O24S3Si3 — CID 160847566

About lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate

lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate (PubChem CID 160847566) has the molecular formula C130H188AlCl2LiN30O24S3Si3 and a molecular weight of 2840.41 g/mol. Its IUPAC name is lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate.

Molecular Properties

• Compound Name: lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate
• PubChem CID: 160847566
• Molecular Formula: C130H188AlCl2LiN30O24S3Si3
• Molecular Weight: 2840.41 g/mol
• Exact Mass: 2837.22
• IUPAC Name: lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate
• SMILES: C.CC(C)(C)OC(=O)N1CC2OC2C1.CC(C)(C)OC(=O)N1CC=CC1.CC(C)(C)[Si](C)(C)Cl.CC[Al](C#N)CC.CN(O)[N-]O.Cc1ccc(S(=O)(=O)O)cc1.Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)n1.O.[C-]#[N+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O.[C-]#[N+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.[C-]#[N+][C@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@@H]1O.[C-]#[N+][C@H]1CN(c2ccnc3c2c(-c2ccnc(N)n2)cn3S(=O)(=O)c2ccccc2)C[C@@H]1O.[C-]#[N+][C@H]1CNC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+]
• InChI: InChI=1S/C22H19N7O3S.C17H12ClN5O2S.C16H15N7O.C16H30N2O3Si.C11H22N2OSi.C10H16N2O3.C9H15NO3.C9H15NO2.C7H8O3S.C6H15ClSi.2C2H5.CH5N2O2.CN.CH4.Al.Li.H2O/c1-24-17-12-28(13-19(17)30)18-8-10-25-21-20(18)15(16-7-9-26-22(23)27-16)11-29(21)33(31,32)14-5-3-2-4-6-14;18-13-6-8-20-16-15(13)12(14-7-9-21-17(19)22-14)10-23(16)26(24,25)11-4-2-1-3-5-11;1-18-11-7-23(8-13(11)24)12-3-5-19-15-14(12)9(6-21-15)10-2-4-20-16(17)22-10;1-15(2,3)20-14(19)18-10-12(17-7)13(11-18)21-22(8,9)16(4,5)6;1-11(2,3)15(5,6)14-10-8-13-7-9(10)12-4;1-10(2,3)15-9(14)12-5-7(11-4)8(13)6-12;1-9(2,3)13-8(11)10-4-6-7(5-10)12-6;1-9(2,3)12-8(11)10-6-4-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)8(4,5)7;2*1-2;1-3(5)2-4;1-2;;;;/h2-11,17,19,30H,12-13H2,(H2,23,26,27);1-10H,(H2,19,21,22);2-6,11,13,24H,7-8H2,(H,19,21)(H2,17,20,22);12-13H,10-11H2,1-6,8-9H3;9-10,13H,7-8H2,1-3,5-6H3;7-8,13H,5-6H2,1-3H3;6-7H,4-5H2,1-3H3;4-5H,6-7H2,1-3H3;2-5H,1H3,(H,8,9,10);1-5H3;2*1H2,2H3;4-5H,1H3;;1H4;;;1H2/q;;;;;;;;;;;;-1;;;;+1;/t17-,19-;;11-,13-;12-,13-;9-,10-;7-,8-;;;;;;;;;;;;/m0.0000............/s1
• InChIKey: OASCLFKTPWDXCC-WLVLANKKSA-N
• XLogP: 18.54
• TPSA: 705.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 17
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2840.41
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate?

The IUPAC name of lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate (CID 160847566) is lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate.

What is the SMILES notation for lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate?

The canonical SMILES for lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate is C.CC(C)(C)OC(=O)N1CC2OC2C1.CC(C)(C)OC(=O)N1CC=CC1.CC(C)(C)[Si](C)(C)Cl.CC[Al](C#N)CC.CN(O)[N-]O.Cc1ccc(S(=O)(=O)O)cc1.Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)n1.O.[C-]#[N+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O.[C-]#[N+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.[C-]#[N+][C@H]1CN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C[C@@H]1O.[C-]#[N+][C@H]1CN(c2ccnc3c2c(-c2ccnc(N)n2)cn3S(=O)(=O)c2ccccc2)C[C@@H]1O.[C-]#[N+][C@H]1CNC[C@@H]1O[Si](C)(C)C(C)(C)C.[Li+].

What is the InChIKey of lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate?

The InChIKey is OASCLFKTPWDXCC-WLVLANKKSA-N. The full InChI is InChI=1S/C22H19N7O3S.C17H12ClN5O2S.C16H15N7O.C16H30N2O3Si.C11H22N2OSi.C10H16N2O3.C9H15NO3.C9H15NO2.C7H8O3S.C6H15ClSi.2C2H5.CH5N2O2.CN.CH4.Al.Li.H2O/c1-24-17-12-28(13-19(17)30)18-8-10-25-21-20(18)15(16-7-9-26-22(23)27-16)11-29(21)33(31,32)14-5-3-2-4-6-14;18-13-6-8-20-16-15(13)12(14-7-9-21-17(19)22-14)10-23(16)26(24,25)11-4-2-1-3-5-11;1-18-11-7-23(8-13(11)24)12-3-5-19-15-14(12)9(6-21-15)10-2-4-20-16(17)22-10;1-15(2,3)20-14(19)18-10-12(17-7)13(11-18)21-22(8,9)16(4,5)6;1-11(2,3)15(5,6)14-10-8-13-7-9(10)12-4;1-10(2,3)15-9(14)12-5-7(11-4)8(13)6-12;1-9(2,3)13-8(11)10-4-6-7(5-10)12-6;1-9(2,3)12-8(11)10-6-4-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)8(4,5)7;2*1-2;1-3(5)2-4;1-2;;;;/h2-11,17,19,30H,12-13H2,(H2,23,26,27);1-10H,(H2,19,21,22);2-6,11,13,24H,7-8H2,(H,19,21)(H2,17,20,22);12-13H,10-11H2,1-6,8-9H3;9-10,13H,7-8H2,1-3,5-6H3;7-8,13H,5-6H2,1-3H3;6-7H,4-5H2,1-3H3;4-5H,6-7H2,1-3H3;2-5H,1H3,(H,8,9,10);1-5H3;2*1H2,2H3;4-5H,1H3;;1H4;;;1H2/q;;;;;;;;;;;;-1;;;;+1;/t17-,19-;;11-,13-;12-,13-;9-,10-;7-,8-;;;;;;;;;;;;/m0.0000............/s1.

What are the key properties of lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate?

lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate has a molecular weight of 2840.41 g/mol, XLogP of 18.54, 17 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;(3S,4S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-isocyanopyrrolidin-3-ol;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-chloro-dimethylsilane;tert-butyl 2,5-dihydropyrrole-1-carboxylate;tert-butyl (3S,4S)-3-hydroxy-4-isocyanopyrrolidine-1-carboxylate;tert-butyl-[(3S,4S)-4-isocyanopyrrolidin-3-yl]oxy-dimethylsilane;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;diethylalumanylformonitrile;hydroxy-[hydroxy(methyl)amino]azanide;methane;4-methylbenzenesulfonic acid;hydrate is sourced from PubChem (CID 160847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).