3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one

C26H27FN4O3S — CID 129273855

IUPAC3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(CCNCCN2CSCC2=O)nc1
InChIInChI=1S/C26H27FN4O3S/c1-26(2)20(12-22(34-26)24-19-6-4-17(27)11-21(19)30-25(24)33)16-3-5-18(29-13-16)7-8-28-9-10-31-15-35-14-23(31)32/h3-6,11-13,28H,7-10,14-15H2,1-2H3,(H,30,33)/b24-22+
InChIKeyBBGPXDZVWYPYNT-ZNTNEXAZSA-N
MW494.59 g/mol
LogP3.44
Rot. Bonds7

About 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one

3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one (PubChem CID 129273855) has the molecular formula C26H27FN4O3S and a molecular weight of 494.59 g/mol. Its IUPAC name is 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one
PubChem CID129273855
Molecular FormulaC26H27FN4O3S
Molecular Weight494.59 g/mol
Exact Mass494.18
IUPAC Name3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(CCNCCN2CSCC2=O)nc1
InChIInChI=1S/C26H27FN4O3S/c1-26(2)20(12-22(34-26)24-19-6-4-17(27)11-21(19)30-25(24)33)16-3-5-18(29-13-16)7-8-28-9-10-31-15-35-14-23(31)32/h3-6,11-13,28H,7-10,14-15H2,1-2H3,(H,30,33)/b24-22+
InChIKeyBBGPXDZVWYPYNT-ZNTNEXAZSA-N
XLogP3.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one 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

(3E)-6-fluoro-3-[4-[6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 24968088
6-fluoro-3-[4-[6-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 69449566
(3E)-6-fluoro-3-[4-[6-[2-[2-(hydroxymethyl)morpholin-4-yl]ethyl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 58926104
(3E)-6-fluoro-3-[4-[6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethyl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 58926385
3-[4-[6-[2-[4-(2-aminoethyl)piperazin-1-yl]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-6-fluoro-1H-indol-2-one
CID 69450107
3-[4-[6-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-6-fluoro-1H-indol-2-one
CID 69451328
3-[5,5-dimethyl-4-[4-(piperazin-1-ylmethyl)phenyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one
CID 123838875
4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzaldehyde
CID 58926440
6-fluoro-3-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 69410454
(3E)-6-fluoro-3-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 58926118
3-[4-[4-[(dimethylamino)methyl]phenyl]-5,5-dimethylfuran-2-ylidene]-6-fluoro-1H-indol-2-one
CID 69451046
(3E)-6-fluoro-3-[4-[4-(methoxymethyl)phenyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 58926361

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one (CID 129273855) is 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one is CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(CCNCCN2CSCC2=O)nc1.
What is the InChIKey of 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is BBGPXDZVWYPYNT-ZNTNEXAZSA-N. The full InChI is InChI=1S/C26H27FN4O3S/c1-26(2)20(12-22(34-26)24-19-6-4-17(27)11-21(19)30-25(24)33)16-3-5-18(29-13-16)7-8-28-9-10-31-15-35-14-23(31)32/h3-6,11-13,28H,7-10,14-15H2,1-2H3,(H,30,33)/b24-22+.
What are the key properties of 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one?
3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 494.59 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[5-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]-2-pyridinyl]ethylamino]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 129273855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).