N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide

C30H37N3O3Si — CID 86713410

About N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86713410) has the molecular formula C30H37N3O3Si and a molecular weight of 515.73 g/mol. Its IUPAC name is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 86713410
• Molecular Formula: C30H37N3O3Si
• Molecular Weight: 515.73 g/mol
• Exact Mass: 515.26
• IUPAC Name: N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2c(OCc3ccccc3)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C30H37N3O3Si/c1-22-27(33-19-13-18-26(28(33)31-22)35-20-23-14-9-7-10-15-23)29(34)32-25(24-16-11-8-12-17-24)21-36-37(5,6)30(2,3)4/h7-19,25H,20-21H2,1-6H3,(H,32,34)/t25-/m0/s1
• InChIKey: LBHDXRIEWZDIOR-VWLOTQADSA-N
• XLogP: 6.71
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.73
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 86713410) is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3ccccc3)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1.

What is the InChIKey of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is LBHDXRIEWZDIOR-VWLOTQADSA-N. The full InChI is InChI=1S/C30H37N3O3Si/c1-22-27(33-19-13-18-26(28(33)31-22)35-20-23-14-9-7-10-15-23)29(34)32-25(24-16-11-8-12-17-24)21-36-37(5,6)30(2,3)4/h7-19,25H,20-21H2,1-6H3,(H,32,34)/t25-/m0/s1.

What are the key properties of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 515.73 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86713410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).