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

C31H30F2N8O6 — CID 75150438

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

benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 75150438) has the molecular formula C31H30F2N8O6 and a molecular weight of 648.63 g/mol. Its IUPAC name is benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 75150438
• Molecular Formula: C31H30F2N8O6
• Molecular Weight: 648.63 g/mol
• Exact Mass: 648.23
• IUPAC Name: benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: O=C(NCC1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1)OCc1ccccc1
• InChI: InChI=1S/C31H30F2N8O6/c32-23-12-21(41-17-22(47-31(41)45)14-36-30(44)46-19-20-4-2-1-3-5-20)13-24(33)28(23)39-10-8-38(9-11-39)27(42)16-35-29(43)25-18-40-7-6-34-15-26(40)37-25/h1-7,12-13,15,18,22H,8-11,14,16-17,19H2,(H,35,43)(H,36,44)
• InChIKey: LYAOEJWDLANSRL-UHFFFAOYSA-N
• XLogP: 2.34
• 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	648.63
LogP ≤ 5	2.34
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-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 75150438) is benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

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

The canonical SMILES for benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is O=C(NCC1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1)OCc1ccccc1.

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

The InChIKey is LYAOEJWDLANSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N8O6/c32-23-12-21(41-17-22(47-31(41)45)14-36-30(44)46-19-20-4-2-1-3-5-20)13-24(33)28(23)39-10-8-38(9-11-39)27(42)16-35-29(43)25-18-40-7-6-34-15-26(40)37-25/h1-7,12-13,15,18,22H,8-11,14,16-17,19H2,(H,35,43)(H,36,44).

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

benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 648.63 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 75150438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).