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

C26H21FN6O5 — CID 178100743

IUPAC6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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(-c4cc(F)cc(-c5ccccc5)n4)no2)CCC3)C(=O)N1
InChIInChI=1S/C26H21FN6O5/c27-15-11-17(14-5-2-1-3-6-14)28-18(12-15)23-30-21(38-31-23)13-32-10-4-7-16-22(32)26(37)33(25(16)36)19-8-9-20(34)29-24(19)35/h1-3,5-6,11-12,19H,4,7-10,13H2,(H,29,34,35)
InChIKeyMXAAXALRRWFUIY-UHFFFAOYSA-N
MW516.49 g/mol
LogP1.96
Rot. Bonds5

About 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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-(4-fluoro-6-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178100743) has the molecular formula C26H21FN6O5 and a molecular weight of 516.49 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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-(4-fluoro-6-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID178100743
Molecular FormulaC26H21FN6O5
Molecular Weight516.49 g/mol
Exact Mass516.16
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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(-c4cc(F)cc(-c5ccccc5)n4)no2)CCC3)C(=O)N1
InChIInChI=1S/C26H21FN6O5/c27-15-11-17(14-5-2-1-3-6-14)28-18(12-15)23-30-21(38-31-23)13-32-10-4-7-16-22(32)26(37)33(25(16)36)19-8-9-20(34)29-24(19)35/h1-3,5-6,11-12,19H,4,7-10,13H2,(H,29,34,35)
InChIKeyMXAAXALRRWFUIY-UHFFFAOYSA-N
XLogP1.96
TPSA138.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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-(4-fluoro-6-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178100743) is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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-(4-fluoro-6-phenyl-2-pyridinyl)-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-(4-fluoro-6-phenyl-2-pyridinyl)-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(-c4cc(F)cc(-c5ccccc5)n4)no2)CCC3)C(=O)N1.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is MXAAXALRRWFUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6O5/c27-15-11-17(14-5-2-1-3-6-14)28-18(12-15)23-30-21(38-31-23)13-32-10-4-7-16-22(32)26(37)33(25(16)36)19-8-9-20(34)29-24(19)35/h1-3,5-6,11-12,19H,4,7-10,13H2,(H,29,34,35).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-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-(4-fluoro-6-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 516.49 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(4-fluoro-6-phenyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178100743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).