(3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one

C25H26FN3O3 — CID 24968086

IUPAC(3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(CCN2CCOCC2)nc1
InChIInChI=1S/C25H26FN3O3/c1-25(2)20(16-3-5-18(27-15-16)7-8-29-9-11-31-12-10-29)14-22(32-25)23-19-6-4-17(26)13-21(19)28-24(23)30/h3-6,13-15H,7-12H2,1-2H3,(H,28,30)/b23-22+
InChIKeyCPLCLHMFJDJGJR-GHVJWSGMSA-N
MW435.50 g/mol
LogP3.65
Rot. Bonds4

About (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one

(3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one (PubChem CID 24968086) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one
PubChem CID24968086
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name(3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(CCN2CCOCC2)nc1
InChIInChI=1S/C25H26FN3O3/c1-25(2)20(16-3-5-18(27-15-16)7-8-29-9-11-31-12-10-29)14-22(32-25)23-19-6-4-17(26)13-21(19)28-24(23)30/h3-6,13-15H,7-12H2,1-2H3,(H,28,30)/b23-22+
InChIKeyCPLCLHMFJDJGJR-GHVJWSGMSA-N
XLogP3.65
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-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)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one (CID 24968086) is (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one is CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(CCN2CCOCC2)nc1.
What is the InChIKey of (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one?
The InChIKey is CPLCLHMFJDJGJR-GHVJWSGMSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-25(2)20(16-3-5-18(27-15-16)7-8-29-9-11-31-12-10-29)14-22(32-25)23-19-6-4-17(26)13-21(19)28-24(23)30/h3-6,13-15H,7-12H2,1-2H3,(H,28,30)/b23-22+.
What are the key properties of (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one?
(3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one has a molecular weight of 435.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[5,5-dimethyl-4-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one is sourced from PubChem (CID 24968086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).