2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione

C26H25FN4O2 — CID 19370382

IUPAC2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCN(C(c2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H25FN4O2/c27-20-10-8-19(9-11-20)24(23-7-3-4-12-28-23)30-16-13-29(14-17-30)15-18-31-25(32)21-5-1-2-6-22(21)26(31)33/h1-12,24H,13-18H2
InChIKeyAWJMRDMMTFVETC-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.22
Rot. Bonds6

About 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 19370382) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID19370382
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCN(C(c2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H25FN4O2/c27-20-10-8-19(9-11-20)24(23-7-3-4-12-28-23)30-16-13-29(14-17-30)15-18-31-25(32)21-5-1-2-6-22(21)26(31)33/h1-12,24H,13-18H2
InChIKeyAWJMRDMMTFVETC-UHFFFAOYSA-N
XLogP3.22
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione (CID 19370382) is 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCN(C(c2ccc(F)cc2)c2ccccn2)CC1.
What is the InChIKey of 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is AWJMRDMMTFVETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-20-10-8-19(9-11-20)24(23-7-3-4-12-28-23)30-16-13-29(14-17-30)15-18-31-25(32)21-5-1-2-6-22(21)26(31)33/h1-12,24H,13-18H2.
What are the key properties of 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 444.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 19370382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).