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

C27H23N5O5 — CID 178100841

IUPAC6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-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(-c4cccc(-c5ccccc5)c4)no2)CCC3)C(=O)N1
InChIInChI=1S/C27H23N5O5/c33-21-12-11-20(25(34)28-21)32-26(35)19-10-5-13-31(23(19)27(32)36)15-22-29-24(30-37-22)18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-4,6-9,14,20H,5,10-13,15H2,(H,28,33,34)
InChIKeyARYAAGXOEQOAGV-UHFFFAOYSA-N
MW497.51 g/mol
LogP2.43
Rot. Bonds5

About 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-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-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178100841) has the molecular formula C27H23N5O5 and a molecular weight of 497.51 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-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-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID178100841
Molecular FormulaC27H23N5O5
Molecular Weight497.51 g/mol
Exact Mass497.17
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-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(-c4cccc(-c5ccccc5)c4)no2)CCC3)C(=O)N1
InChIInChI=1S/C27H23N5O5/c33-21-12-11-20(25(34)28-21)32-26(35)19-10-5-13-31(23(19)27(32)36)15-22-29-24(30-37-22)18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-4,6-9,14,20H,5,10-13,15H2,(H,28,33,34)
InChIKeyARYAAGXOEQOAGV-UHFFFAOYSA-N
XLogP2.43
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 52.43
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-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-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-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178100841) is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-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-(3-phenylphenyl)-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-(3-phenylphenyl)-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(-c4cccc(-c5ccccc5)c4)no2)CCC3)C(=O)N1.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ARYAAGXOEQOAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O5/c33-21-12-11-20(25(34)28-21)32-26(35)19-10-5-13-31(23(19)27(32)36)15-22-29-24(30-37-22)18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-4,6-9,14,20H,5,10-13,15H2,(H,28,33,34).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-phenylphenyl)-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-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 497.51 g/mol, XLogP of 2.43, 5 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-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178100841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).