4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione

C20H19FN4O3 — CID 113202736

IUPAC4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19FN4O3/c21-15-5-3-4-14-18(15)20(28)25(19(14)27)9-7-17(26)24-12-10-23(11-13-24)16-6-1-2-8-22-16/h1-6,8H,7,9-13H2
InChIKeyAHGISKANHFDRHE-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.56
Rot. Bonds4

About 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione

4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione (PubChem CID 113202736) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione
PubChem CID113202736
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19FN4O3/c21-15-5-3-4-14-18(15)20(28)25(19(14)27)9-7-17(26)24-12-10-23(11-13-24)16-6-1-2-8-22-16/h1-6,8H,7,9-13H2
InChIKeyAHGISKANHFDRHE-UHFFFAOYSA-N
XLogP1.56
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-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

(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 92543665
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 2302169
2-(2-chloro-6-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8004063
2-[6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 108755320
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 10046381
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-[2-(2-fluorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109000150
2-[4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 122343491
8-methyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
CID 51272117
2-[3-[4-(4-chlorobutanoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108568447

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione (CID 113202736) is 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione is O=C(CCN1C(=O)c2cccc(F)c2C1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is AHGISKANHFDRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-5-3-4-14-18(15)20(28)25(19(14)27)9-7-17(26)24-12-10-23(11-13-24)16-6-1-2-8-22-16/h1-6,8H,7,9-13H2.
What are the key properties of 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione?
4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 382.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 113202736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).