ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

C15H14FN3O3 — CID 124845059

IUPACethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)C(=O)N[C@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H14FN3O3/c1-2-22-15(21)12-8-19-7-11(18-14(20)13(19)17-12)9-3-5-10(16)6-4-9/h3-6,8,11H,2,7H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyHFPFCIMOOKDALS-NSHDSACASA-N
MW303.29 g/mol
LogP1.68
Rot. Bonds3

About ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 124845059) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID124845059
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Nameethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)C(=O)N[C@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H14FN3O3/c1-2-22-15(21)12-8-19-7-11(18-14(20)13(19)17-12)9-3-5-10(16)6-4-9/h3-6,8,11H,2,7H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyHFPFCIMOOKDALS-NSHDSACASA-N
XLogP1.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

ethyl 6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 138646151
ethyl 2-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
CID 164510737
ethyl (5R,7S)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136911869
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
CID 131868991
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrate;dihydrochloride
CID 18525864
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
ethyl 4-(4-fluorophenyl)-1-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 3732923
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl 5-[(2R,3S)-2,3-dimethylazetidin-1-yl]-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178087788

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (CID 124845059) is ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2c(n1)C(=O)N[C@H](c1ccc(F)cc1)C2.
What is the InChIKey of ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is HFPFCIMOOKDALS-NSHDSACASA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-2-22-15(21)12-8-19-7-11(18-14(20)13(19)17-12)9-3-5-10(16)6-4-9/h3-6,8,11H,2,7H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 303.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-(4-fluorophenyl)-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 124845059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).