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

C25H27FN8O6 — CID 46212912

IUPACmethyl N-[[(5S)-3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H27FN8O6/c1-39-24(37)29-11-17-14-34(25(38)40-17)16-2-3-20(18(26)10-16)31-6-8-32(9-7-31)22(35)13-28-23(36)19-15-33-5-4-27-12-21(33)30-19/h2-5,10,12,15,17H,6-9,11,13-14H2,1H3,(H,28,36)(H,29,37)/t17-/m0/s1
InChIKeyPKCYYIIENGJYJC-KRWDZBQOSA-N
MW554.54 g/mol
LogP0.63
Rot. Bonds7

About methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)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-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 46212912) has the molecular formula C25H27FN8O6 and a molecular weight of 554.54 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)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-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID46212912
Molecular FormulaC25H27FN8O6
Molecular Weight554.54 g/mol
Exact Mass554.20
IUPAC Namemethyl N-[[(5S)-3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CNC(=O)c4cn5ccncc5n4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H27FN8O6/c1-39-24(37)29-11-17-14-34(25(38)40-17)16-2-3-20(18(26)10-16)31-6-8-32(9-7-31)22(35)13-28-23(36)19-15-33-5-4-27-12-21(33)30-19/h2-5,10,12,15,17H,6-9,11,13-14H2,1H3,(H,28,36)(H,29,37)/t17-/m0/s1
InChIKeyPKCYYIIENGJYJC-KRWDZBQOSA-N
XLogP0.63
TPSA150.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.54
LogP ≤ 50.63
H-Bond Donors ≤ 52
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-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)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-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 46212912) is methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)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-carbonylamino)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-carbonylamino)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)CNC(=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-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is PKCYYIIENGJYJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H27FN8O6/c1-39-24(37)29-11-17-14-34(25(38)40-17)16-2-3-20(18(26)10-16)31-6-8-32(9-7-31)22(35)13-28-23(36)19-15-33-5-4-27-12-21(33)30-19/h2-5,10,12,15,17H,6-9,11,13-14H2,1H3,(H,28,36)(H,29,37)/t17-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)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-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 554.54 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 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-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 46212912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).