2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

C46H60BCl3N10O4Si2 — CID 160960717

About 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (PubChem CID 160960717) has the molecular formula C46H60BCl3N10O4Si2 and a molecular weight of 990.39 g/mol. Its IUPAC name is 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• PubChem CID: 160960717
• Molecular Formula: C46H60BCl3N10O4Si2
• Molecular Weight: 990.39 g/mol
• Exact Mass: 988.35
• IUPAC Name: 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• SMILES: C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.Cn1ccc2cc(-c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)cnc21.Cn1ccc2cc(B3OC(C)(C)C(C)(C)O3)cnc21
• InChI: InChI=1S/C20H24ClN5OSi.C14H19BN2O2.C12H17Cl2N3OSi/c1-25-7-5-14-11-15(12-22-18(14)25)17-16-6-8-26(19(16)24-20(21)23-17)13-27-9-10-28(2,3)4;1-13(2)14(3,4)19-15(18-13)11-8-10-6-7-17(5)12(10)16-9-11;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17/h5-8,11-12H,9-10,13H2,1-4H3;6-9H,1-5H3;4-5H,6-8H2,1-3H3
• InChIKey: SWYXTQSWORBUDX-UHFFFAOYSA-N
• XLogP: 10.87
• TPSA: 133.98 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.39
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine (CID 160960717) is 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.Cn1ccc2cc(-c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)cnc21.Cn1ccc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.

What is the InChIKey of 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

The InChIKey is SWYXTQSWORBUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5OSi.C14H19BN2O2.C12H17Cl2N3OSi/c1-25-7-5-14-11-15(12-22-18(14)25)17-16-6-8-26(19(16)24-20(21)23-17)13-27-9-10-28(2,3)4;1-13(2)14(3,4)19-15(18-13)11-8-10-6-7-17(5)12(10)16-9-11;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17/h5-8,11-12H,9-10,13H2,1-4H3;6-9H,1-5H3;4-5H,6-8H2,1-3H3.

What are the key properties of 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine?

2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 990.39 g/mol, XLogP of 10.87, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160960717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).