methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate

C16H15FN2O4 — CID 59750508

IUPACmethyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H15FN2O4/c1-23-16(22)12-9-18-6-7-19(15(21)13(18)14(12)20)8-10-2-4-11(17)5-3-10/h2-5,9,20H,6-8H2,1H3
InChIKeyZBKNBVNCEGGJKR-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate

methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 59750508) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID59750508
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Namemethyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H15FN2O4/c1-23-16(22)12-9-18-6-7-19(15(21)13(18)14(12)20)8-10-2-4-11(17)5-3-10/h2-5,9,20H,6-8H2,1H3
InChIKeyZBKNBVNCEGGJKR-UHFFFAOYSA-N
XLogP1.78
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (CID 59750508) is methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is COC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is ZBKNBVNCEGGJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-23-16(22)12-9-18-6-7-19(15(21)13(18)14(12)20)8-10-2-4-11(17)5-3-10/h2-5,9,20H,6-8H2,1H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 59750508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).