1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione

C22H20FN3O3 — CID 163347010

IUPAC1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione
SMILESO=C1CC(Cn2ccn(-c3ccccc3)c(=O)c2=O)CN1Cc1ccccc1F
InChIInChI=1S/C22H20FN3O3/c23-19-9-5-4-6-17(19)15-25-14-16(12-20(25)27)13-24-10-11-26(22(29)21(24)28)18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyOOJAYIVAIBEVSG-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.19
Rot. Bonds5

About 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione

1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione (PubChem CID 163347010) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione
PubChem CID163347010
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione
SMILESO=C1CC(Cn2ccn(-c3ccccc3)c(=O)c2=O)CN1Cc1ccccc1F
InChIInChI=1S/C22H20FN3O3/c23-19-9-5-4-6-17(19)15-25-14-16(12-20(25)27)13-24-10-11-26(22(29)21(24)28)18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyOOJAYIVAIBEVSG-UHFFFAOYSA-N
XLogP2.19
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746
1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709502
1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one
CID 135017500
1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione
CID 22520404
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 154884210
4-ethynyl-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168501779
1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
1-[(3,4-difluorophenyl)methyl]-4-phenylpyrazine-2,3-dione
CID 95921598
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
1-(4-chlorophenyl)-4-(cyclohexylmethyl)pyrazine-2,3-dione
CID 163347017
1-[(2,6-difluorophenyl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671051
[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione?
The IUPAC name of 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione (CID 163347010) is 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione.
What is the SMILES notation for 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione?
The canonical SMILES for 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione is O=C1CC(Cn2ccn(-c3ccccc3)c(=O)c2=O)CN1Cc1ccccc1F.
What is the InChIKey of 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione?
The InChIKey is OOJAYIVAIBEVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-19-9-5-4-6-17(19)15-25-14-16(12-20(25)27)13-24-10-11-26(22(29)21(24)28)18-7-2-1-3-8-18/h1-11,16H,12-15H2.
What are the key properties of 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione?
1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione has a molecular weight of 393.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-4-phenylpyrazine-2,3-dione is sourced from PubChem (CID 163347010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).