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

C16H16FN3O3 — CID 3011070

IUPAC2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O3/c1-18-15(22)12-9-19-6-7-20(16(23)13(19)14(12)21)8-10-2-4-11(17)5-3-10/h2-5,9,21H,6-8H2,1H3,(H,18,22)
InChIKeyQKHUTMFXAINNDM-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.35
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 3011070) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID3011070
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O3/c1-18-15(22)12-9-19-6-7-20(16(23)13(19)14(12)21)8-10-2-4-11(17)5-3-10/h2-5,9,21H,6-8H2,1H3,(H,18,22)
InChIKeyQKHUTMFXAINNDM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 3011070) is 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is CNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is QKHUTMFXAINNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-18-15(22)12-9-19-6-7-20(16(23)13(19)14(12)21)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 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide?
2-[(4-fluorophenyl)methyl]-8-hydroxy-N-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 2-[(4-fluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 3011070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).