sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C53H84BCl3N13NaO7Si3 — CID 159588943

About sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 159588943) has the molecular formula C53H84BCl3N13NaO7Si3 and a molecular weight of 1239.76 g/mol. Its IUPAC name is sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• PubChem CID: 159588943
• Molecular Formula: C53H84BCl3N13NaO7Si3
• Molecular Weight: 1239.76 g/mol
• Exact Mass: 1237.50
• IUPAC Name: sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Clc1ncnc2[nH]ccc12.[H-].[H]/N=C/C(=C\NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1.[Na+]
• InChI: InChI=1S/C15H21N5OSi.C14H25BN2O4.C12H18ClN3OSi.C6H4ClN3.C6H15ClOSi.Na.H/c1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20;1-12(2,3)19-11(18)17-9-10(8-16)15-20-13(4,5)14(6,7)21-15;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;7-5-4-1-2-8-6(4)10-3-9-5;1-9(2,3)5-4-8-6-7;;/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19);8-9,16H,1-7H3,(H,17,18);4-5,8H,6-7,9H2,1-3H3;1-3H,(H,8,9,10);4-6H2,1-3H3;;/q;;;;;+1;-1/b;10-9+,16-8+
• InChIKey: AWGLOFMNFAZTKB-WXQNFVPISA-N
• XLogP: 10.47
• TPSA: 240.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.76
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The IUPAC name of sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 159588943) is sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

What is the SMILES notation for sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The canonical SMILES for sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.Clc1ncnc2[nH]ccc12.[H-].[H]/N=C/C(=C\NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1.[Na+].

What is the InChIKey of sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The InChIKey is AWGLOFMNFAZTKB-WXQNFVPISA-N. The full InChI is InChI=1S/C15H21N5OSi.C14H25BN2O4.C12H18ClN3OSi.C6H4ClN3.C6H15ClOSi.Na.H/c1-22(2,3)7-6-21-11-20-5-4-13-14(12-8-18-19-9-12)16-10-17-15(13)20;1-12(2,3)19-11(18)17-9-10(8-16)15-20-13(4,5)14(6,7)21-15;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;7-5-4-1-2-8-6(4)10-3-9-5;1-9(2,3)5-4-8-6-7;;/h4-5,8-10H,6-7,11H2,1-3H3,(H,18,19);8-9,16H,1-7H3,(H,17,18);4-5,8H,6-7,9H2,1-3H3;1-3H,(H,8,9,10);4-6H2,1-3H3;;/q;;;;;+1;-1/b;10-9+,16-8+;;;;;.

What are the key properties of sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 1239.76 g/mol, XLogP of 10.47, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-[(Z)-3-imino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]carbamate;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;hydride;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159588943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).