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

C33H47FN4O3Si2 — CID 163641940

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

5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol (PubChem CID 163641940) has the molecular formula C33H47FN4O3Si2 and a molecular weight of 622.93 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[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-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol
• PubChem CID: 163641940
• Molecular Formula: C33H47FN4O3Si2
• Molecular Weight: 622.93 g/mol
• Exact Mass: 622.32
• IUPAC Name: 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol
• SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CCC4)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C33H47FN4O3Si2/c1-8-23-19-31(39)27(34)20-26(23)24-12-13-25-30(18-24)38(22-41-15-17-43(5,6)7)36-32(25)33-35-28-10-9-11-29(28)37(33)21-40-14-16-42(2,3)4/h12-13,18-20,39H,8-11,14-17,21-22H2,1-7H3
• InChIKey: GIWNJIUFNFAXBG-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 74.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.93
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-cyclopenta[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-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol (CID 163641940) is 5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[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-cyclopenta[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-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CCC4)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-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol?

The InChIKey is GIWNJIUFNFAXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47FN4O3Si2/c1-8-23-19-31(39)27(34)20-26(23)24-12-13-25-30(18-24)38(22-41-15-17-43(5,6)7)36-32(25)33-35-28-10-9-11-29(28)37(33)21-40-14-16-42(2,3)4/h12-13,18-20,39H,8-11,14-17,21-22H2,1-7H3.

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

5-ethyl-2-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol has a molecular weight of 622.93 g/mol, XLogP of 8.09, 13 rotatable bonds, 1 hydrogen bond donors, and 7 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-cyclopenta[d]imidazol-2-yl]indazol-6-yl]phenol is sourced from PubChem (CID 163641940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).