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

IUPACbis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone
SMILESC[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
InChIInChI=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
InChIKeyOEOCYMFYRMYGLM-UHFFFAOYSA-N
MW1235.48 g/mol
LogP12.85
Rot. Bonds26

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 Namebis[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 CID169082859
Molecular FormulaC55H82Br2N10O5Si4
Molecular Weight1235.48 g/mol
Exact Mass1232.39
IUPAC Namebis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone
SMILESC[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
InChIInChI=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
InChIKeyOEOCYMFYRMYGLM-UHFFFAOYSA-N
XLogP12.85
TPSA131.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001235.48
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).