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

C26H29FN8O6 — CID 46213350

IUPACmethyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN(C)C(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN8O6/c1-31(24(37)20-15-34-6-5-28-13-22(34)30-20)16-23(36)33-9-7-32(8-10-33)21-4-3-17(11-19(21)27)35-14-18(41-26(35)39)12-29-25(38)40-2/h3-6,11,13,15,18H,7-10,12,14,16H2,1-2H3,(H,29,38)/t18-/m0/s1
InChIKeyXSHVSIBJCCGGNG-SFHVURJKSA-N
MW568.57 g/mol
LogP0.97
Rot. Bonds7

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

methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 46213350) has the molecular formula C26H29FN8O6 and a molecular weight of 568.57 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID46213350
Molecular FormulaC26H29FN8O6
Molecular Weight568.57 g/mol
Exact Mass568.22
IUPAC Namemethyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN(C)C(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H29FN8O6/c1-31(24(37)20-15-34-6-5-28-13-22(34)30-20)16-23(36)33-9-7-32(8-10-33)21-4-3-17(11-19(21)27)35-14-18(41-26(35)39)12-29-25(38)40-2/h3-6,11,13,15,18H,7-10,12,14,16H2,1-2H3,(H,29,38)/t18-/m0/s1
InChIKeyXSHVSIBJCCGGNG-SFHVURJKSA-N
XLogP0.97
TPSA141.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.57
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 46213350) is methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN(C)C(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is XSHVSIBJCCGGNG-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29FN8O6/c1-31(24(37)20-15-34-6-5-28-13-22(34)30-20)16-23(36)33-9-7-32(8-10-33)21-4-3-17(11-19(21)27)35-14-18(41-26(35)39)12-29-25(38)40-2/h3-6,11,13,15,18H,7-10,12,14,16H2,1-2H3,(H,29,38)/t18-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 568.57 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-[imidazo[1,2-a]pyrazine-2-carbonyl(methyl)amino]acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 46213350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).