N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide

C25H26F2N8O5 — CID 46213154

IUPACN-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26F2N8O5/c1-15(36)29-10-17-13-35(25(39)40-17)16-8-18(26)23(19(27)9-16)33-6-4-32(5-7-33)22(37)12-30-24(38)20-14-34-3-2-28-11-21(34)31-20/h2-3,8-9,11,14,17H,4-7,10,12-13H2,1H3,(H,29,36)(H,30,38)/t17-/m0/s1
InChIKeyXEULVYTUJZCVMW-KRWDZBQOSA-N
MW556.53 g/mol
LogP0.55
Rot. Bonds7

About N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide

N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 46213154) has the molecular formula C25H26F2N8O5 and a molecular weight of 556.53 g/mol. Its IUPAC name is N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID46213154
Molecular FormulaC25H26F2N8O5
Molecular Weight556.53 g/mol
Exact Mass556.20
IUPAC NameN-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26F2N8O5/c1-15(36)29-10-17-13-35(25(39)40-17)16-8-18(26)23(19(27)9-16)33-6-4-32(5-7-33)22(37)12-30-24(38)20-14-34-3-2-28-11-21(34)31-20/h2-3,8-9,11,14,17H,4-7,10,12-13H2,1H3,(H,29,36)(H,30,38)/t17-/m0/s1
InChIKeyXEULVYTUJZCVMW-KRWDZBQOSA-N
XLogP0.55
TPSA141.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.53
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 46213154) is N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide is CC(=O)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-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XEULVYTUJZCVMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26F2N8O5/c1-15(36)29-10-17-13-35(25(39)40-17)16-8-18(26)23(19(27)9-16)33-6-4-32(5-7-33)22(37)12-30-24(38)20-14-34-3-2-28-11-21(34)31-20/h2-3,8-9,11,14,17H,4-7,10,12-13H2,1H3,(H,29,36)(H,30,38)/t17-/m0/s1.
What are the key properties of N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide?
N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 556.53 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46213154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).