2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane

C109H126BCl3N26O7Si3 — CID 160886118

About 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane

2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane (PubChem CID 160886118) has the molecular formula C109H126BCl3N26O7Si3 and a molecular weight of 2113.81 g/mol. Its IUPAC name is 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane.

Molecular Properties

• Compound Name: 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane
• PubChem CID: 160886118
• Molecular Formula: C109H126BCl3N26O7Si3
• Molecular Weight: 2113.81 g/mol
• Exact Mass: 2110.88
• IUPAC Name: 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane
• SMILES: C.CC1(C)OB(c2cnc3c(ccn3Cc3ccccc3)c2)OC1(C)C.C[Si](C)(C)CCOCn1cnc2c(-c3cnc4c(ccn4Cc4ccccc4)c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1cnc2c(-c3cnc4c(ccn4Cc4ccccc4)c3)nc(N3CCOCC3)nc21.C[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)nc21.c1ccc(Cn2ccc3cc(-c4nc(N5CCOCC5)nc5nc[nH]c45)cnc32)cc1
• InChI: InChI=1S/C29H35N7O2Si.C25H27ClN6OSi.C23H21N7O.C20H23BN2O2.C11H16Cl2N4OSi.CH4/c1-39(2,3)16-15-38-21-36-20-31-26-25(32-29(33-28(26)36)34-11-13-37-14-12-34)24-17-23-9-10-35(27(23)30-18-24)19-22-7-5-4-6-8-22;1-34(2,3)12-11-33-17-32-16-28-22-21(29-25(26)30-24(22)32)20-13-19-9-10-31(23(19)27-14-20)15-18-7-5-4-6-8-18;1-2-4-16(5-3-1)14-30-7-6-17-12-18(13-24-22(17)30)19-20-21(26-15-25-20)28-23(27-19)29-8-10-31-11-9-29;1-19(2)20(3,4)25-21(24-19)17-12-16-10-11-23(18(16)22-13-17)14-15-8-6-5-7-9-15;1-19(2,3)5-4-18-7-17-6-14-8-9(12)15-11(13)16-10(8)17;/h4-10,17-18,20H,11-16,19,21H2,1-3H3;4-10,13-14,16H,11-12,15,17H2,1-3H3;1-7,12-13,15H,8-11,14H2,(H,25,26,27,28);5-13H,14H2,1-4H3;6H,4-5,7H2,1-3H3;1H4
• InChIKey: SNQROLXZDUNTDJ-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 327.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.81
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane?

The IUPAC name of 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane (CID 160886118) is 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane.

What is the SMILES notation for 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane?

The canonical SMILES for 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane is C.CC1(C)OB(c2cnc3c(ccn3Cc3ccccc3)c2)OC1(C)C.C[Si](C)(C)CCOCn1cnc2c(-c3cnc4c(ccn4Cc4ccccc4)c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1cnc2c(-c3cnc4c(ccn4Cc4ccccc4)c3)nc(N3CCOCC3)nc21.C[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)nc21.c1ccc(Cn2ccc3cc(-c4nc(N5CCOCC5)nc5nc[nH]c45)cnc32)cc1.

What is the InChIKey of 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane?

The InChIKey is SNQROLXZDUNTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2Si.C25H27ClN6OSi.C23H21N7O.C20H23BN2O2.C11H16Cl2N4OSi.CH4/c1-39(2,3)16-15-38-21-36-20-31-26-25(32-29(33-28(26)36)34-11-13-37-14-12-34)24-17-23-9-10-35(27(23)30-18-24)19-22-7-5-4-6-8-22;1-34(2,3)12-11-33-17-32-16-28-22-21(29-25(26)30-24(22)32)20-13-19-9-10-31(23(19)27-14-20)15-18-7-5-4-6-8-18;1-2-4-16(5-3-1)14-30-7-6-17-12-18(13-24-22(17)30)19-20-21(26-15-25-20)28-23(27-19)29-8-10-31-11-9-29;1-19(2)20(3,4)25-21(24-19)17-12-16-10-11-23(18(16)22-13-17)14-15-8-6-5-7-9-15;1-19(2,3)5-4-18-7-17-6-14-8-9(12)15-11(13)16-10(8)17;/h4-10,17-18,20H,11-16,19,21H2,1-3H3;4-10,13-14,16H,11-12,15,17H2,1-3H3;1-7,12-13,15H,8-11,14H2,(H,25,26,27,28);5-13H,14H2,1-4H3;6H,4-5,7H2,1-3H3;1H4.

What are the key properties of 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane?

2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane has a molecular weight of 2113.81 g/mol, XLogP of 21.62, 29 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-chloropurin-9-yl]methoxy]ethyl-trimethylsilane;2-[[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-2-morpholin-4-ylpurin-9-yl]methoxy]ethyl-trimethylsilane;4-[6-(1-benzylpyrrolo[2,3-b]pyridin-5-yl)-7H-purin-2-yl]morpholine;1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[(2,6-dichloropurin-9-yl)methoxy]ethyl-trimethylsilane;methane is sourced from PubChem (CID 160886118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).