tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate

C34H49FN6O4Si — CID 123681196

About tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate (PubChem CID 123681196) has the molecular formula C34H49FN6O4Si and a molecular weight of 652.89 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate
• PubChem CID: 123681196
• Molecular Formula: C34H49FN6O4Si
• Molecular Weight: 652.89 g/mol
• Exact Mass: 652.36
• IUPAC Name: tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate
• SMILES: Cc1cc(-c2cn(COCC[Si](C)(C)C)c(C(=O)Nc3cccc(F)c3N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2)ccn1
• InChI: InChI=1S/C34H49FN6O4Si/c1-24-20-26(12-15-36-24)29-22-41(23-44-18-19-46(6,7)8)31(37-29)32(42)38-28-11-9-10-27(35)30(28)40-16-13-25(14-17-40)21-39(5)33(43)45-34(2,3)4/h9-12,15,20,22,25H,13-14,16-19,21,23H2,1-8H3,(H,38,42)
• InChIKey: DPHFVSQUMNOLRL-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 101.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.89
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
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 tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate (CID 123681196) is tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate is Cc1cc(-c2cn(COCC[Si](C)(C)C)c(C(=O)Nc3cccc(F)c3N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2)ccn1.

What is the InChIKey of tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate?

The InChIKey is DPHFVSQUMNOLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49FN6O4Si/c1-24-20-26(12-15-36-24)29-22-41(23-44-18-19-46(6,7)8)31(37-29)32(42)38-28-11-9-10-27(35)30(28)40-16-13-25(14-17-40)21-39(5)33(43)45-34(2,3)4/h9-12,15,20,22,25H,13-14,16-19,21,23H2,1-8H3,(H,38,42).

What are the key properties of tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate?

tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate has a molecular weight of 652.89 g/mol, XLogP of 7.04, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[1-[2-fluoro-6-[[4-(2-methyl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 123681196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).