methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C27H30F2N8O6 — CID 46213283

About methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 46213283) has the molecular formula C27H30F2N8O6 and a molecular weight of 600.58 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 46213283
• Molecular Formula: C27H30F2N8O6
• Molecular Weight: 600.58 g/mol
• Exact Mass: 600.23
• IUPAC Name: methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: CCN(CC(=O)N1CCN(c2c(F)cc(N3C[C@H](CNC(=O)OC)OC3=O)cc2F)CC1)C(=O)c1cn2ccncc2n1
• InChI: InChI=1S/C27H30F2N8O6/c1-3-33(25(39)21-15-36-5-4-30-13-22(36)32-21)16-23(38)34-6-8-35(9-7-34)24-19(28)10-17(11-20(24)29)37-14-18(43-27(37)41)12-31-26(40)42-2/h4-5,10-11,13,15,18H,3,6-9,12,14,16H2,1-2H3,(H,31,40)/t18-/m0/s1
• InChIKey: HQZKSSBDIASIOG-SFHVURJKSA-N
• XLogP: 1.50
• TPSA: 141.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.58
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
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 methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 46213283) is methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is CCN(CC(=O)N1CCN(c2c(F)cc(N3C[C@H](CNC(=O)OC)OC3=O)cc2F)CC1)C(=O)c1cn2ccncc2n1.

What is the InChIKey of methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is HQZKSSBDIASIOG-SFHVURJKSA-N. The full InChI is InChI=1S/C27H30F2N8O6/c1-3-33(25(39)21-15-36-5-4-30-13-22(36)32-21)16-23(38)34-6-8-35(9-7-34)24-19(28)10-17(11-20(24)29)37-14-18(43-27(37)41)12-31-26(40)42-2/h4-5,10-11,13,15,18H,3,6-9,12,14,16H2,1-2H3,(H,31,40)/t18-/m0/s1.

What are the key properties of methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 600.58 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[(5S)-3-[4-[4-[2-[ethyl(imidazo[1,2-a]pyrazine-2-carbonyl)amino]acetyl]piperazin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 46213283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).