5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C24H25FN2O2 — CID 91807979

IUPAC5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCC1CCCN(CCc2ccc3c(c2)COC3=C2C(=O)Nc3ccc(F)cc32)C1
InChIInChI=1S/C24H25FN2O2/c1-15-3-2-9-27(13-15)10-8-16-4-6-19-17(11-16)14-29-23(19)22-20-12-18(25)5-7-21(20)26-24(22)28/h4-7,11-12,15H,2-3,8-10,13-14H2,1H3,(H,26,28)
InChIKeyWRGNGDPSJJHENX-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.45
Rot. Bonds3

About 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 91807979) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID91807979
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCC1CCCN(CCc2ccc3c(c2)COC3=C2C(=O)Nc3ccc(F)cc32)C1
InChIInChI=1S/C24H25FN2O2/c1-15-3-2-9-27(13-15)10-8-16-4-6-19-17(11-16)14-29-23(19)22-20-12-18(25)5-7-21(20)26-24(22)28/h4-7,11-12,15H,2-3,8-10,13-14H2,1H3,(H,26,28)
InChIKeyWRGNGDPSJJHENX-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-[2-[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]piperidine-3-carboxamide
CID 68994877
ethyl (2S)-1-[2-[(1E)-1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidine-2-carboxylate;methane
CID 161016921
5-fluoro-3-[5-[2-(2-pyrrolidin-1-ylethylamino)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68993944
3-[5-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68997990
methyl (2S)-1-[[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]methyl]pyrrolidine-2-carboxylate
CID 68995971
5-fluoro-3-[5-[[2-(2-methylpiperidin-1-yl)ethylamino]methyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68995521
5-fluoro-3-[5-[2-(oxan-4-ylamino)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68997458
N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide
CID 68999874
(3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 58478825
3-[5-(diethylaminomethyl)-3H-2-benzofuran-1-ylidene]-5-fluoro-1H-indol-2-one
CID 68993441
3-[5-(2,2-dimethoxyethyl)-3H-2-benzofuran-1-ylidene]-5-fluoro-1H-indol-2-one
CID 68997985
(3E)-5-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 10250887

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 91807979) is 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is CC1CCCN(CCc2ccc3c(c2)COC3=C2C(=O)Nc3ccc(F)cc32)C1.
What is the InChIKey of 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is WRGNGDPSJJHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-15-3-2-9-27(13-15)10-8-16-4-6-19-17(11-16)14-29-23(19)22-20-12-18(25)5-7-21(20)26-24(22)28/h4-7,11-12,15H,2-3,8-10,13-14H2,1H3,(H,26,28).
What are the key properties of 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 392.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 91807979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).