N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide

C29H36F2N8O5 — CID 143999616

About N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide

N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide (PubChem CID 143999616) has the molecular formula C29H36F2N8O5 and a molecular weight of 614.65 g/mol. Its IUPAC name is N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide.

Molecular Properties

• Compound Name: N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide
• PubChem CID: 143999616
• Molecular Formula: C29H36F2N8O5
• Molecular Weight: 614.65 g/mol
• Exact Mass: 614.28
• IUPAC Name: N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide
• SMILES: NC=O.[H]/N=c1\cnccn1/C=C/C1(C(=O)N2CCN(c3c(F)cc(N4CC(CNC(C)=O)OC4=O)cc3F)CC2)CCCC1
• InChI: InChI=1S/C28H33F2N7O4.CH3NO/c1-19(38)33-16-21-18-37(27(40)41-21)20-14-22(29)25(23(30)15-20)35-10-12-36(13-11-35)26(39)28(4-2-3-5-28)6-8-34-9-7-32-17-24(34)31;2-1-3/h6-9,14-15,17,21,31H,2-5,10-13,16,18H2,1H3,(H,33,38);1H,(H2,2,3)/b8-6+,31-24+
• InChIKey: WSZMODMMWAIUFR-FJSRXRGQSA-N
• XLogP: 1.58
• TPSA: 166.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.65
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide?

The IUPAC name of N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide (CID 143999616) is N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide.

What is the SMILES notation for N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide?

The canonical SMILES for N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide is NC=O.[H]/N=c1\cnccn1/C=C/C1(C(=O)N2CCN(c3c(F)cc(N4CC(CNC(C)=O)OC4=O)cc3F)CC2)CCCC1.

What is the InChIKey of N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide?

The InChIKey is WSZMODMMWAIUFR-FJSRXRGQSA-N. The full InChI is InChI=1S/C28H33F2N7O4.CH3NO/c1-19(38)33-16-21-18-37(27(40)41-21)20-14-22(29)25(23(30)15-20)35-10-12-36(13-11-35)26(39)28(4-2-3-5-28)6-8-34-9-7-32-17-24(34)31;2-1-3/h6-9,14-15,17,21,31H,2-5,10-13,16,18H2,1H3,(H,33,38);1H,(H2,2,3)/b8-6+,31-24+;.

What are the key properties of N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide?

N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide has a molecular weight of 614.65 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3,5-difluoro-4-[4-[1-[(E)-2-(2-iminopyrazin-1-yl)ethenyl]cyclopentanecarbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;formamide is sourced from PubChem (CID 143999616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).