3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H16FN3O3 — CID 166423081

IUPAC3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3-c3ccc(F)c4[nH]ccc34)C2=O)C(=O)N1
InChIInChI=1S/C21H16FN3O3/c22-16-5-4-12(13-8-9-23-19(13)16)11-2-1-3-14-15(11)10-25(21(14)28)17-6-7-18(26)24-20(17)27/h1-5,8-9,17,23H,6-7,10H2,(H,24,26,27)
InChIKeyZWUAVDHZFDDGRC-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.73
Rot. Bonds2

About 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166423081) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166423081
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3-c3ccc(F)c4[nH]ccc34)C2=O)C(=O)N1
InChIInChI=1S/C21H16FN3O3/c22-16-5-4-12(13-8-9-23-19(13)16)11-2-1-3-14-15(11)10-25(21(14)28)17-6-7-18(26)24-20(17)27/h1-5,8-9,17,23H,6-7,10H2,(H,24,26,27)
InChIKeyZWUAVDHZFDDGRC-UHFFFAOYSA-N
XLogP2.73
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423087
3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416348
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416358
3-[7-(3-methylthiophen-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416335
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[(2-methylphenyl)methylsulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155562885
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[3-oxo-7-(2-phenylethylsulfanyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162648894

Frequently Asked Questions

What is the IUPAC name of 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166423081) is 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(cccc3-c3ccc(F)c4[nH]ccc34)C2=O)C(=O)N1.
What is the InChIKey of 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZWUAVDHZFDDGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-16-5-4-12(13-8-9-23-19(13)16)11-2-1-3-14-15(11)10-25(21(14)28)17-6-7-18(26)24-20(17)27/h1-5,8-9,17,23H,6-7,10H2,(H,24,26,27).
What are the key properties of 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 377.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166423081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).