6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

C21H18FN5O5 — CID 178101139

IUPAC6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4ccccc4F)no2)CCC3)C(=O)N1
InChIInChI=1S/C21H18FN5O5/c22-13-6-2-1-4-11(13)18-24-16(32-25-18)10-26-9-3-5-12-17(26)21(31)27(20(12)30)14-7-8-15(28)23-19(14)29/h1-2,4,6,14H,3,5,7-10H2,(H,23,28,29)
InChIKeyFOFBGEGNSSWCIV-UHFFFAOYSA-N
MW439.40 g/mol
LogP0.90
Rot. Bonds4

About 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178101139) has the molecular formula C21H18FN5O5 and a molecular weight of 439.40 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID178101139
Molecular FormulaC21H18FN5O5
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4ccccc4F)no2)CCC3)C(=O)N1
InChIInChI=1S/C21H18FN5O5/c22-13-6-2-1-4-11(13)18-24-16(32-25-18)10-26-9-3-5-12-17(26)21(31)27(20(12)30)14-7-8-15(28)23-19(14)29/h1-2,4,6,14H,3,5,7-10H2,(H,23,28,29)
InChIKeyFOFBGEGNSSWCIV-UHFFFAOYSA-N
XLogP0.90
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione with MolForge

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100840
1-[[3-(2-chloro-3-pyrimidin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100884
1-[[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101041
6-(2,6-dioxopiperidin-3-yl)-1-[[3-[2-fluoro-3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101098
6-(2,6-dioxopiperidin-3-yl)-1-[(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101120
1-[[3-(2-chloro-3-pyrimidin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100909
6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100779
6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-pyridin-3-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101046
6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101061
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178101139) is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is O=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4ccccc4F)no2)CCC3)C(=O)N1.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is FOFBGEGNSSWCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O5/c22-13-6-2-1-4-11(13)18-24-16(32-25-18)10-26-9-3-5-12-17(26)21(31)27(20(12)30)14-7-8-15(28)23-19(14)29/h1-2,4,6,14H,3,5,7-10H2,(H,23,28,29).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 439.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178101139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).