5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol

C32H46FN5O3Si2 — CID 154689135

About 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol

5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol (PubChem CID 154689135) has the molecular formula C32H46FN5O3Si2 and a molecular weight of 623.92 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol.

Molecular Properties

• Compound Name: 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol
• PubChem CID: 154689135
• Molecular Formula: C32H46FN5O3Si2
• Molecular Weight: 623.92 g/mol
• Exact Mass: 623.31
• IUPAC Name: 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol
• SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CNC4)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C32H46FN5O3Si2/c1-8-22-16-30(39)26(33)17-25(22)23-9-10-24-28(15-23)38(21-41-12-14-43(5,6)7)36-31(24)32-35-27-18-34-19-29(27)37(32)20-40-11-13-42(2,3)4/h9-10,15-17,34,39H,8,11-14,18-21H2,1-7H3
• InChIKey: QEDBOKFPIPKJGB-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 86.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.92
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol?

The IUPAC name of 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol (CID 154689135) is 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol.

What is the SMILES notation for 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol?

The canonical SMILES for 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CNC4)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol?

The InChIKey is QEDBOKFPIPKJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46FN5O3Si2/c1-8-22-16-30(39)26(33)17-25(22)23-9-10-24-28(15-23)38(21-41-12-14-43(5,6)7)36-31(24)32-35-27-18-34-19-29(27)37(32)20-40-11-13-42(2,3)4/h9-10,15-17,34,39H,8,11-14,18-21H2,1-7H3.

What are the key properties of 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol?

5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol has a molecular weight of 623.92 g/mol, XLogP of 7.20, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-6-yl]phenol is sourced from PubChem (CID 154689135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).