(3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C23H24FN3O2 — CID 10408261

IUPAC(3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2cc(NCCN3CCCCC3)ccc21
InChIInChI=1S/C23H24FN3O2/c24-16-4-7-20-19(13-16)21(23(28)26-20)22-18-6-5-17(12-15(18)14-29-22)25-8-11-27-9-2-1-3-10-27/h4-7,12-13,25H,1-3,8-11,14H2,(H,26,28)/b22-21+
InChIKeyWZQOWUAFEQBDAK-QURGRASLSA-N
MW393.46 g/mol
LogP4.07
Rot. Bonds4

About (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

(3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 10408261) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID10408261
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2cc(NCCN3CCCCC3)ccc21
InChIInChI=1S/C23H24FN3O2/c24-16-4-7-20-19(13-16)21(23(28)26-20)22-18-6-5-17(12-15(18)14-29-22)25-8-11-27-9-2-1-3-10-27/h4-7,12-13,25H,1-3,8-11,14H2,(H,26,28)/b22-21+
InChIKeyWZQOWUAFEQBDAK-QURGRASLSA-N
XLogP4.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one 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 (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 10408261) is (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2cc(NCCN3CCCCC3)ccc21.
What is the InChIKey of (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is WZQOWUAFEQBDAK-QURGRASLSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-16-4-7-20-19(13-16)21(23(28)26-20)22-18-6-5-17(12-15(18)14-29-22)25-8-11-27-9-2-1-3-10-27/h4-7,12-13,25H,1-3,8-11,14H2,(H,26,28)/b22-21+.
What are the key properties of (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 393.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[5-(2-piperidin-1-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 10408261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).