N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide

C26H36FN5O2Si — CID 171441681

About N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide

N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide (PubChem CID 171441681) has the molecular formula C26H36FN5O2Si and a molecular weight of 497.69 g/mol. Its IUPAC name is N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide
• PubChem CID: 171441681
• Molecular Formula: C26H36FN5O2Si
• Molecular Weight: 497.69 g/mol
• Exact Mass: 497.26
• IUPAC Name: N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide
• SMILES: CC(=O)N(C)c1cc2[nH]c(-c3nn(COCC[Si](C)(C)C)c4c3C[C@@H]3C[C@]3(C)C4)nc2c(F)c1C
• InChI: InChI=1S/C26H36FN5O2Si/c1-15-20(31(4)16(2)33)11-19-24(22(15)27)29-25(28-19)23-18-10-17-12-26(17,3)13-21(18)32(30-23)14-34-8-9-35(5,6)7/h11,17H,8-10,12-14H2,1-7H3,(H,28,29)/t17-,26-/m1/s1
• InChIKey: HOPFYXFDRCBDDP-WGDIFIGCSA-N
• XLogP: 5.29
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.69
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide?

The IUPAC name of N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide (CID 171441681) is N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide.

What is the SMILES notation for N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide?

The canonical SMILES for N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide is CC(=O)N(C)c1cc2[nH]c(-c3nn(COCC[Si](C)(C)C)c4c3C[C@@H]3C[C@]3(C)C4)nc2c(F)c1C.

What is the InChIKey of N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide?

The InChIKey is HOPFYXFDRCBDDP-WGDIFIGCSA-N. The full InChI is InChI=1S/C26H36FN5O2Si/c1-15-20(31(4)16(2)33)11-19-24(22(15)27)29-25(28-19)23-18-10-17-12-26(17,3)13-21(18)32(30-23)14-34-8-9-35(5,6)7/h11,17H,8-10,12-14H2,1-7H3,(H,28,29)/t17-,26-/m1/s1.

What are the key properties of N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide?

N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide has a molecular weight of 497.69 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-7-fluoro-6-methyl-3H-benzimidazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 171441681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).