2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione

C20H20N6O4 — CID 167733095

About 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione (PubChem CID 167733095) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione
• PubChem CID: 167733095
• Molecular Formula: C20H20N6O4
• Molecular Weight: 408.42 g/mol
• Exact Mass: 408.15
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione
• SMILES: Cn1nc(NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c2c1CNC2
• InChI: InChI=1S/C20H20N6O4/c1-25-15-9-21-8-13(15)17(24-25)22-7-10-2-3-11-12(6-10)20(30)26(19(11)29)14-4-5-16(27)23-18(14)28/h2-3,6,14,21H,4-5,7-9H2,1H3,(H,22,24)(H,23,27,28)
• InChIKey: RGPICQPTBQZWFE-UHFFFAOYSA-N
• XLogP: 0.04
• TPSA: 125.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.42
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione (CID 167733095) is 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione is Cn1nc(NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c2c1CNC2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione?

The InChIKey is RGPICQPTBQZWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-25-15-9-21-8-13(15)17(24-25)22-7-10-2-3-11-12(6-10)20(30)26(19(11)29)14-4-5-16(27)23-18(14)28/h2-3,6,14,21H,4-5,7-9H2,1H3,(H,22,24)(H,23,27,28).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione has a molecular weight of 408.42 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167733095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).