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

C16H16FN3O3 — CID 3011075

IUPACN-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(O)c2C1=O
InChIInChI=1S/C16H16FN3O3/c1-19-6-7-20-9-12(14(21)13(20)16(19)23)15(22)18-8-10-2-4-11(17)5-3-10/h2-5,9,21H,6-8H2,1H3,(H,18,22)
InChIKeyGVDZUOZWUFBLLF-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.35
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 3011075) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID3011075
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(O)c2C1=O
InChIInChI=1S/C16H16FN3O3/c1-19-6-7-20-9-12(14(21)13(20)16(19)23)15(22)18-8-10-2-4-11(17)5-3-10/h2-5,9,21H,6-8H2,1H3,(H,18,22)
InChIKeyGVDZUOZWUFBLLF-UHFFFAOYSA-N
XLogP1.35
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 3011075) is N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is CN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(O)c2C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is GVDZUOZWUFBLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-19-6-7-20-9-12(14(21)13(20)16(19)23)15(22)18-8-10-2-4-11(17)5-3-10/h2-5,9,21H,6-8H2,1H3,(H,18,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-hydroxy-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 3011075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).