ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

C28H33FN4O3Si — CID 153434238

About ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 153434238) has the molecular formula C28H33FN4O3Si and a molecular weight of 520.68 g/mol. Its IUPAC name is ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 153434238
• Molecular Formula: C28H33FN4O3Si
• Molecular Weight: 520.68 g/mol
• Exact Mass: 520.23
• IUPAC Name: ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(COCC[Si](C)(C)C)c3C3CC3)cn12
• InChI: InChI=1S/C28H33FN4O3Si/c1-5-36-28(34)23-16-30-24-13-10-21(17-32(23)24)25-26(19-8-11-22(29)12-9-19)31-33(27(25)20-6-7-20)18-35-14-15-37(2,3)4/h8-13,16-17,20H,5-7,14-15,18H2,1-4H3
• InChIKey: HLDDHBNRNQAINY-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.68
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
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 ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 153434238) is ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(COCC[Si](C)(C)C)c3C3CC3)cn12.

What is the InChIKey of ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is HLDDHBNRNQAINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O3Si/c1-5-36-28(34)23-16-30-24-13-10-21(17-32(23)24)25-26(19-8-11-22(29)12-9-19)31-33(27(25)20-6-7-20)18-35-14-15-37(2,3)4/h8-13,16-17,20H,5-7,14-15,18H2,1-4H3.

What are the key properties of ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?

ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 520.68 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 153434238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).