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

C15H13FN2O4 — CID 3011069

IUPAC2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C15H13FN2O4/c16-10-3-1-9(2-4-10)7-18-6-5-17-8-11(15(21)22)13(19)12(17)14(18)20/h1-4,8,19H,5-7H2,(H,21,22)
InChIKeyZCZFDYZVYXZCQP-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.69
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 3011069) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID3011069
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C15H13FN2O4/c16-10-3-1-9(2-4-10)7-18-6-5-17-8-11(15(21)22)13(19)12(17)14(18)20/h1-4,8,19H,5-7H2,(H,21,22)
InChIKeyZCZFDYZVYXZCQP-UHFFFAOYSA-N
XLogP1.69
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid (CID 3011069) is 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is O=C(O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is ZCZFDYZVYXZCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-10-3-1-9(2-4-10)7-18-6-5-17-8-11(15(21)22)13(19)12(17)14(18)20/h1-4,8,19H,5-7H2,(H,21,22).
What are the key properties of 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid?
2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 3011069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).