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

C17H17FN2O4 — CID 3011076

IUPACethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2c(c1O)C(=O)N(Cc1cccc(F)c1)CC2
InChIInChI=1S/C17H17FN2O4/c1-2-24-17(23)13-10-19-6-7-20(16(22)14(19)15(13)21)9-11-4-3-5-12(18)8-11/h3-5,8,10,21H,2,6-7,9H2,1H3
InChIKeyNIYSFVZEKVNKDE-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.17
Rot. Bonds4

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

ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 3011076) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID3011076
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2c(c1O)C(=O)N(Cc1cccc(F)c1)CC2
InChIInChI=1S/C17H17FN2O4/c1-2-24-17(23)13-10-19-6-7-20(16(22)14(19)15(13)21)9-11-4-3-5-12(18)8-11/h3-5,8,10,21H,2,6-7,9H2,1H3
InChIKeyNIYSFVZEKVNKDE-UHFFFAOYSA-N
XLogP2.17
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (CID 3011076) is ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1cccc(F)c1)CC2.
What is the InChIKey of ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is NIYSFVZEKVNKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-2-24-17(23)13-10-19-6-7-20(16(22)14(19)15(13)21)9-11-4-3-5-12(18)8-11/h3-5,8,10,21H,2,6-7,9H2,1H3.
What are the key properties of ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 332.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 3011076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).