3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane

C17H24FN3O6 — CID 145070038

IUPAC3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane
SMILESCC.CC.Nc1c(O)c(F)c(O)c2c1CN(C1(O)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H12FN3O6.2C2H6/c14-7-9(19)6-4(8(15)10(7)20)3-17(11(6)21)13(23)2-1-5(18)16-12(13)22;2*1-2/h19-20,23H,1-3,15H2,(H,16,18,22);2*1-2H3
InChIKeyZYCNDSYEQJHRRV-UHFFFAOYSA-N
MW385.39 g/mol
LogP0.95
Rot. Bonds1

About 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane

3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane (PubChem CID 145070038) has the molecular formula C17H24FN3O6 and a molecular weight of 385.39 g/mol. Its IUPAC name is 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane
PubChem CID145070038
Molecular FormulaC17H24FN3O6
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane
SMILESCC.CC.Nc1c(O)c(F)c(O)c2c1CN(C1(O)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H12FN3O6.2C2H6/c14-7-9(19)6-4(8(15)10(7)20)3-17(11(6)21)13(23)2-1-5(18)16-12(13)22;2*1-2/h19-20,23H,1-3,15H2,(H,16,18,22);2*1-2H3
InChIKeyZYCNDSYEQJHRRV-UHFFFAOYSA-N
XLogP0.95
TPSA153.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane with MolForge

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Related Compounds

3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3,4,5-trihydroxypiperidine-2,6-dione
CID 145070829
3-hydroxy-3-[4,5,6-trihydroxy-7-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 145070510
2-fluoro-3-[[[2-(3-hydroxy-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]benzonitrile
CID 130389158
(3S)-3-[7-[(2-fluoro-4-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-3-hydroxypiperidine-2,6-dione
CID 166797671
3-[7-[[2-fluoro-3-(morpholin-4-ylmethyl)phenyl]-dihydroxymethoxy]-3-oxo-1H-isoindol-2-yl]-3-hydroxypiperidine-2,6-dione
CID 145071039
3-[7-[[4-[dihydroxy(morpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]-3-hydroxypiperidine-2,6-dione;ethane
CID 142374556
3-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]-3-hydroxypiperidine-2,6-dione
CID 145070666
ethane;2-fluoro-3-[[[2-(3-hydroxy-6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]benzaldehyde;methanamine
CID 145070484
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione
CID 68605728
3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
CID 164919999
(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide
CID 66643102
3-amino-3-[7-[[4-[[2-aminoethyl(ethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 123178735

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane?
The IUPAC name of 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane (CID 145070038) is 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane.
What is the SMILES notation for 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane?
The canonical SMILES for 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane is CC.CC.Nc1c(O)c(F)c(O)c2c1CN(C1(O)CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane?
The InChIKey is ZYCNDSYEQJHRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O6.2C2H6/c14-7-9(19)6-4(8(15)10(7)20)3-17(11(6)21)13(23)2-1-5(18)16-12(13)22;2*1-2/h19-20,23H,1-3,15H2,(H,16,18,22);2*1-2H3.
What are the key properties of 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane?
3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane has a molecular weight of 385.39 g/mol, XLogP of 0.95, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-5-fluoro-4,6-dihydroxy-3-oxo-1H-isoindol-2-yl)-3-hydroxypiperidine-2,6-dione;ethane is sourced from PubChem (CID 145070038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).