(3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

C27H32FN3O6 — CID 24968777

IUPAC(3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3ccc(F)cc32)C=C1c1ccc(NCCOCCOCCOCCO)nc1
InChIInChI=1S/C27H32FN3O6/c1-27(2)21(16-23(37-27)25-20-15-19(28)4-5-22(20)31-26(25)33)18-3-6-24(30-17-18)29-7-9-34-11-13-36-14-12-35-10-8-32/h3-6,15-17,32H,7-14H2,1-2H3,(H,29,30)(H,31,33)/b25-23+
InChIKeyRXPHXFGUKXHZFQ-WJTDDFOZSA-N
MW513.57 g/mol
LogP3.23
Rot. Bonds13

About (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

(3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one (PubChem CID 24968777) has the molecular formula C27H32FN3O6 and a molecular weight of 513.57 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
PubChem CID24968777
Molecular FormulaC27H32FN3O6
Molecular Weight513.57 g/mol
Exact Mass513.23
IUPAC Name(3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3ccc(F)cc32)C=C1c1ccc(NCCOCCOCCOCCO)nc1
InChIInChI=1S/C27H32FN3O6/c1-27(2)21(16-23(37-27)25-20-15-19(28)4-5-22(20)31-26(25)33)18-3-6-24(30-17-18)29-7-9-34-11-13-36-14-12-35-10-8-32/h3-6,15-17,32H,7-14H2,1-2H3,(H,29,30)(H,31,33)/b25-23+
InChIKeyRXPHXFGUKXHZFQ-WJTDDFOZSA-N
XLogP3.23
TPSA111.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.57
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-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-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one (CID 24968777) is (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one is CC1(C)O/C(=C2/C(=O)Nc3ccc(F)cc32)C=C1c1ccc(NCCOCCOCCOCCO)nc1.
What is the InChIKey of (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
The InChIKey is RXPHXFGUKXHZFQ-WJTDDFOZSA-N. The full InChI is InChI=1S/C27H32FN3O6/c1-27(2)21(16-23(37-27)25-20-15-19(28)4-5-22(20)31-26(25)33)18-3-6-24(30-17-18)29-7-9-34-11-13-36-14-12-35-10-8-32/h3-6,15-17,32H,7-14H2,1-2H3,(H,29,30)(H,31,33)/b25-23+.
What are the key properties of (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one has a molecular weight of 513.57 g/mol, XLogP of 3.23, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[4-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one is sourced from PubChem (CID 24968777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).