2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione

C20H20N6O4 — CID 167716432

About 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione (PubChem CID 167716432) 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-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione
• PubChem CID: 167716432
• Molecular Formula: C20H20N6O4
• Molecular Weight: 408.42 g/mol
• Exact Mass: 408.15
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(CNc4n[nH]c5c4CNCC5)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C20H20N6O4/c27-16-4-3-15(18(28)23-16)26-19(29)11-2-1-10(7-12(11)20(26)30)8-22-17-13-9-21-6-5-14(13)24-25-17/h1-2,7,15,21H,3-6,8-9H2,(H2,22,24,25)(H,23,27,28)
• InChIKey: YYVOVVVEGUMMPU-UHFFFAOYSA-N
• XLogP: 0.07
• TPSA: 136.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.42
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione (CID 167716432) is 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CNc4n[nH]c5c4CNCC5)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione?

The InChIKey is YYVOVVVEGUMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c27-16-4-3-15(18(28)23-16)26-19(29)11-2-1-10(7-12(11)20(26)30)8-22-17-13-9-21-6-5-14(13)24-25-17/h1-2,7,15,21H,3-6,8-9H2,(H2,22,24,25)(H,23,27,28).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione has a molecular weight of 408.42 g/mol, XLogP of 0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 167716432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).