methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C25H24F2N4O5 — CID 162354638

About methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 162354638) has the molecular formula C25H24F2N4O5 and a molecular weight of 498.49 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• PubChem CID: 162354638
• Molecular Formula: C25H24F2N4O5
• Molecular Weight: 498.49 g/mol
• Exact Mass: 498.17
• IUPAC Name: methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• SMILES: COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(N4CCOC4=C=O)cc3F)nc3cc(C)ccn23)C1
• InChI: InChI=1S/C25H24F2N4O5/c1-15-3-4-31-20(12-17-13-29(5-7-35-17)25(33)34-2)24(28-21(31)9-15)23-18(26)10-16(11-19(23)27)30-6-8-36-22(30)14-32/h3-4,9-11,17H,5-8,12-13H2,1-2H3/t17-/m0/s1
• InChIKey: ZTJIFBCZIGIVIS-KRWDZBQOSA-N
• XLogP: 3.11
• TPSA: 85.61 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.49
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ketene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The IUPAC name of methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 162354638) is methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

What is the SMILES notation for methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The canonical SMILES for methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(N4CCOC4=C=O)cc3F)nc3cc(C)ccn23)C1.

What is the InChIKey of methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The InChIKey is ZTJIFBCZIGIVIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24F2N4O5/c1-15-3-4-31-20(12-17-13-29(5-7-35-17)25(33)34-2)24(28-21(31)9-15)23-18(26)10-16(11-19(23)27)30-6-8-36-22(30)14-32/h3-4,9-11,17H,5-8,12-13H2,1-2H3/t17-/m0/s1.

What are the key properties of methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 498.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[[2-[2,6-difluoro-4-[2-(oxomethylidene)-1,3-oxazolidin-3-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 162354638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).