dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane

C109H136Cl9F4K2N25O20Si4Sn — CID 159207525

About dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane

dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (PubChem CID 159207525) has the molecular formula C109H136Cl9F4K2N25O20Si4Sn and a molecular weight of 2820.76 g/mol. Its IUPAC name is dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.

Molecular Properties

• Compound Name: dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
• PubChem CID: 159207525
• Molecular Formula: C109H136Cl9F4K2N25O20Si4Sn
• Molecular Weight: 2820.76 g/mol
• Exact Mass: 2815.49
• IUPAC Name: dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
• SMILES: COc1cc(N2CCN(C)CC2)ccc1N.COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(F)cc([N+](=O)[O-])c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(N)cc(F)c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.C[Si](C)(C)CCOCn1cc(Cl)c2c(Cl)nc(Cl)nc21.C[Si](C)(C)CCOCn1cc(Cl)c2c(Oc3cc(F)cc([N+](=O)[O-])c3)nc(Cl)nc21.Cl[Sn]Cl.O=CO[O-].O=[N+]([O-])c1cc(O)cc(F)c1.[H-].[K+].[K+]
• InChI: InChI=1S/C30H37ClFN7O5Si.C30H39ClFN7O3Si.C18H19Cl2FN4O4Si.C12H16Cl3N3OSi.C12H19N3O.C6H4FNO3.CH2O3.2ClH.2K.Sn.H/c1-36-8-10-37(11-9-36)21-6-7-25(26(17-21)42-2)33-30-34-28-27(24(31)18-38(28)19-43-12-13-45(3,4)5)29(35-30)44-23-15-20(32)14-22(16-23)39(40)41;1-37-8-10-38(11-9-37)22-6-7-25(26(17-22)40-2)34-30-35-28-27(24(31)18-39(28)19-41-12-13-43(3,4)5)29(36-30)42-23-15-20(32)14-21(33)16-23;1-30(2,3)5-4-28-10-24-9-14(19)15-16(24)22-18(20)23-17(15)29-13-7-11(21)6-12(8-13)25(26)27;1-20(2,3)5-4-19-7-18-6-8(13)9-10(14)16-12(15)17-11(9)18;1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2;7-4-1-5(8(10)11)3-6(9)2-4;2-1-4-3;;;;;;/h6-7,14-18H,8-13,19H2,1-5H3,(H,33,34,35);6-7,14-18H,8-13,19,33H2,1-5H3,(H,34,35,36);6-9H,4-5,10H2,1-3H3;6H,4-5,7H2,1-3H3;3-4,9H,5-8,13H2,1-2H3;1-3,9H;1,3H;2*1H;;;;/q;;;;;;;;;2*+1;+2;-1/p-3
• InChIKey: GUPRXTOJVOMDPX-UHFFFAOYSA-K
• XLogP: 19.77
• TPSA: 509.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 40
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2820.76
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

The IUPAC name of dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (CID 159207525) is dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.

What is the SMILES notation for dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

The canonical SMILES for dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is COc1cc(N2CCN(C)CC2)ccc1N.COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(F)cc([N+](=O)[O-])c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.COc1cc(N2CCN(C)CC2)ccc1Nc1nc(Oc2cc(N)cc(F)c2)c2c(Cl)cn(COCC[Si](C)(C)C)c2n1.C[Si](C)(C)CCOCn1cc(Cl)c2c(Cl)nc(Cl)nc21.C[Si](C)(C)CCOCn1cc(Cl)c2c(Oc3cc(F)cc([N+](=O)[O-])c3)nc(Cl)nc21.Cl[Sn]Cl.O=CO[O-].O=[N+]([O-])c1cc(O)cc(F)c1.[H-].[K+].[K+].

What is the InChIKey of dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

The InChIKey is GUPRXTOJVOMDPX-UHFFFAOYSA-K. The full InChI is InChI=1S/C30H37ClFN7O5Si.C30H39ClFN7O3Si.C18H19Cl2FN4O4Si.C12H16Cl3N3OSi.C12H19N3O.C6H4FNO3.CH2O3.2ClH.2K.Sn.H/c1-36-8-10-37(11-9-36)21-6-7-25(26(17-21)42-2)33-30-34-28-27(24(31)18-38(28)19-43-12-13-45(3,4)5)29(35-30)44-23-15-20(32)14-22(16-23)39(40)41;1-37-8-10-38(11-9-37)22-6-7-25(26(17-22)40-2)34-30-35-28-27(24(31)18-39(28)19-41-12-13-43(3,4)5)29(36-30)42-23-15-20(32)14-21(33)16-23;1-30(2,3)5-4-28-10-24-9-14(19)15-16(24)22-18(20)23-17(15)29-13-7-11(21)6-12(8-13)25(26)27;1-20(2,3)5-4-19-7-18-6-8(13)9-10(14)16-12(15)17-11(9)18;1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2;7-4-1-5(8(10)11)3-6(9)2-4;2-1-4-3;;;;;;/h6-7,14-18H,8-13,19H2,1-5H3,(H,33,34,35);6-7,14-18H,8-13,19,33H2,1-5H3,(H,34,35,36);6-9H,4-5,10H2,1-3H3;6H,4-5,7H2,1-3H3;3-4,9H,5-8,13H2,1-2H3;1-3,9H;1,3H;2*1H;;;;/q;;;;;;;;;2*+1;+2;-1/p-3.

What are the key properties of dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane has a molecular weight of 2820.76 g/mol, XLogP of 19.77, 40 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-(3-amino-5-fluorophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-4-(3-fluoro-5-nitrophenoxy)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2,5-dichloro-4-(3-fluoro-5-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;dichlorotin;3-fluoro-5-nitrophenol;hydride;2-methoxy-4-(4-methylpiperazin-1-yl)aniline;oxido formate;trimethyl-[2-[(2,4,5-trichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is sourced from PubChem (CID 159207525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).