Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone

C₅₅H₈₂Br₂N₁₀O₅Si₄ — CID 169082859

About Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone

Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone (PubChem CID 169082859) has the molecular formula C₅₅H₈₂Br₂N₁₀O₅Si₄ and a molecular weight of 1235.48 g/mol. Its IUPAC name is bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone.

Molecular Properties

• Compound Name: Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone
• PubChem CID: 169082859
• Molecular Formula: C₅₅H₈₂Br₂N₁₀O₅Si₄
• Molecular Weight: 1235.48 g/mol
• Exact Mass: 1232.39
• IUPAC Name: bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone
• SMILES: C[Si](C)(C)CCOCn1c(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)nc2c1CN(C1(C(=O)C3(N4Cc5nc(-c6nn(COCC[Si](C)(C)C)c7cc(Br)ccc67)n(COCC[Si](C)(C)C)c5C4)CC3)CC1)C2
• InChI: InChI=1S/C55H82Br2N10O5Si4/c1-73(2,3)25-21-69-35-64-47-33-62(31-43(47)58-51(64)49-41-15-13-39(56)29-45(41)66(60-49)37-71-23-27-75(7,8)9)54(17-18-54)53(68)55(19-20-55)63-32-44-48(34-63)65(36-70-22-26-74(4,5)6)52(59-44)50-42-16-14-40(57)30-46(42)67(61-50)38-72-24-28-76(10,11)12/h13-16,29-30H,17-28,31-38H2,1-12H3
• InChIKey: OEOCYMFYRMYGLM-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 131.75 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1235.48
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone?

The IUPAC name of Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone (CID 169082859) is bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone.

What is the SMILES notation for Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone?

The canonical SMILES for Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone is C[Si](C)(C)CCOCn1c(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)nc2c1CN(C1(C(=O)C3(N4Cc5nc(-c6nn(COCC[Si](C)(C)C)c7cc(Br)ccc67)n(COCC[Si](C)(C)C)c5C4)CC3)CC1)C2.

What is the InChIKey of Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone?

The InChIKey is OEOCYMFYRMYGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H82Br2N10O5Si4/c1-73(2,3)25-21-69-35-64-47-33-62(31-43(47)58-51(64)49-41-15-13-39(56)29-45(41)66(60-49)37-71-23-27-75(7,8)9)54(17-18-54)53(68)55(19-20-55)63-32-44-48(34-63)65(36-70-22-26-74(4,5)6)52(59-44)50-42-16-14-40(57)30-46(42)67(61-50)38-72-24-28-76(10,11)12/h13-16,29-30H,17-28,31-38H2,1-12H3.

What are the key properties of Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone?

Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone has a molecular weight of 1235.48 g/mol, XLogP of 12.85, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone is sourced from PubChem (CID 169082859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169082859 — identifiers, structure, computed properties (public domain)

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