benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C32H33FN8O6 — CID 91412252

About benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 91412252) has the molecular formula C32H33FN8O6 and a molecular weight of 644.66 g/mol. Its IUPAC name is benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 91412252
• Molecular Formula: C32H33FN8O6
• Molecular Weight: 644.66 g/mol
• Exact Mass: 644.25
• IUPAC Name: benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: Cc1cc(N2CC(CNC(=O)OCc3ccccc3)OC2=O)cc(F)c1N1CCN(C(=O)CNC(=O)c2cn3ccncc3n2)CC1
• InChI: InChI=1S/C32H33FN8O6/c1-21-13-23(41-18-24(47-32(41)45)15-36-31(44)46-20-22-5-3-2-4-6-22)14-25(33)29(21)39-11-9-38(10-12-39)28(42)17-35-30(43)26-19-40-8-7-34-16-27(40)37-26/h2-8,13-14,16,19,24H,9-12,15,17-18,20H2,1H3,(H,35,43)(H,36,44)
• InChIKey: LSNKMPNRICQVLL-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 150.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	644.66
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 91412252) is benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is Cc1cc(N2CC(CNC(=O)OCc3ccccc3)OC2=O)cc(F)c1N1CCN(C(=O)CNC(=O)c2cn3ccncc3n2)CC1.

What is the InChIKey of benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is LSNKMPNRICQVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN8O6/c1-21-13-23(41-18-24(47-32(41)45)15-36-31(44)46-20-22-5-3-2-4-6-22)14-25(33)29(21)39-11-9-38(10-12-39)28(42)17-35-30(43)26-19-40-8-7-34-16-27(40)37-26/h2-8,13-14,16,19,24H,9-12,15,17-18,20H2,1H3,(H,35,43)(H,36,44).

What are the key properties of benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 644.66 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 91412252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).