N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide

C32H30F2N8O5 — CID 46213734

IUPACN-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C32H30F2N8O5/c33-24-14-22(42-19-23(47-32(42)46)16-36-28(43)7-6-21-4-2-1-3-5-21)15-25(34)30(24)40-12-10-39(11-13-40)29(44)18-37-31(45)26-20-41-9-8-35-17-27(41)38-26/h1-9,14-15,17,20,23H,10-13,16,18-19H2,(H,36,43)(H,37,45)/b7-6+/t23-/m0/s1
InChIKeyQZIYORFVKMOEQB-YQTDCCHMSA-N
MW644.64 g/mol
LogP2.24
Rot. Bonds9

About N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide

N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 46213734) has the molecular formula C32H30F2N8O5 and a molecular weight of 644.64 g/mol. Its IUPAC name is N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID46213734
Molecular FormulaC32H30F2N8O5
Molecular Weight644.64 g/mol
Exact Mass644.23
IUPAC NameN-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C32H30F2N8O5/c33-24-14-22(42-19-23(47-32(42)46)16-36-28(43)7-6-21-4-2-1-3-5-21)15-25(34)30(24)40-12-10-39(11-13-40)29(44)18-37-31(45)26-20-41-9-8-35-17-27(41)38-26/h1-9,14-15,17,20,23H,10-13,16,18-19H2,(H,36,43)(H,37,45)/b7-6+/t23-/m0/s1
InChIKeyQZIYORFVKMOEQB-YQTDCCHMSA-N
XLogP2.24
TPSA141.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.64
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 46213734) is N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide is O=C(/C=C/c1ccccc1)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is QZIYORFVKMOEQB-YQTDCCHMSA-N. The full InChI is InChI=1S/C32H30F2N8O5/c33-24-14-22(42-19-23(47-32(42)46)16-36-28(43)7-6-21-4-2-1-3-5-21)15-25(34)30(24)40-12-10-39(11-13-40)29(44)18-37-31(45)26-20-41-9-8-35-17-27(41)38-26/h1-9,14-15,17,20,23H,10-13,16,18-19H2,(H,36,43)(H,37,45)/b7-6+/t23-/m0/s1.
What are the key properties of N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 644.64 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46213734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).