cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone

C43H66FN5O5Si3 — CID 155665183

About cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone

cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone (PubChem CID 155665183) has the molecular formula C43H66FN5O5Si3 and a molecular weight of 836.29 g/mol. Its IUPAC name is cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone
• PubChem CID: 155665183
• Molecular Formula: C43H66FN5O5Si3
• Molecular Weight: 836.29 g/mol
• Exact Mass: 835.44
• IUPAC Name: cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone
• SMILES: CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1cc(C)c2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)C3CC3)C4)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C43H66FN5O5Si3/c1-12-31-23-39(54-29-53-17-20-57(9,10)11)35(44)24-34(31)33-21-30(2)40-37(22-33)49(28-52-16-19-56(6,7)8)46-41(40)42-45-36-25-47(43(50)32-13-14-32)26-38(36)48(42)27-51-15-18-55(3,4)5/h21-24,32H,12-20,25-29H2,1-11H3
• InChIKey: NKRYEIQRKGLPRO-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 92.87 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.29
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?

The IUPAC name of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone (CID 155665183) is cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone.

What is the SMILES notation for cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?

The canonical SMILES for cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1cc(C)c2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)C3CC3)C4)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?

The InChIKey is NKRYEIQRKGLPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H66FN5O5Si3/c1-12-31-23-39(54-29-53-17-20-57(9,10)11)35(44)24-34(31)33-21-30(2)40-37(22-33)49(28-52-16-19-56(6,7)8)46-41(40)42-45-36-25-47(43(50)32-13-14-32)26-38(36)48(42)27-51-15-18-55(3,4)5/h21-24,32H,12-20,25-29H2,1-11H3.

What are the key properties of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?

cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone has a molecular weight of 836.29 g/mol, XLogP of 10.14, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-4-methyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone is sourced from PubChem (CID 155665183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).