1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea

C24H23N7O5 — CID 166425552

About 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea

1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea (PubChem CID 166425552) has the molecular formula C24H23N7O5 and a molecular weight of 489.49 g/mol. Its IUPAC name is 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea.

Molecular Properties

• Compound Name: 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea
• PubChem CID: 166425552
• Molecular Formula: C24H23N7O5
• Molecular Weight: 489.49 g/mol
• Exact Mass: 489.18
• IUPAC Name: 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea
• SMILES: Cc1cnc2c(NC(=O)NCCCc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cnn2c1
• InChI: InChI=1S/C24H23N7O5/c1-13-10-26-20-17(11-27-30(20)12-13)28-24(36)25-8-2-3-14-4-5-15-16(9-14)23(35)31(22(15)34)18-6-7-19(32)29-21(18)33/h4-5,9-12,18H,2-3,6-8H2,1H3,(H2,25,28,36)(H,29,32,33)
• InChIKey: QYQNIHQBRNYAPF-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 154.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.49
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea?

The IUPAC name of 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea (CID 166425552) is 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea.

What is the SMILES notation for 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea?

The canonical SMILES for 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea is Cc1cnc2c(NC(=O)NCCCc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cnn2c1.

What is the InChIKey of 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea?

The InChIKey is QYQNIHQBRNYAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O5/c1-13-10-26-20-17(11-27-30(20)12-13)28-24(36)25-8-2-3-14-4-5-15-16(9-14)23(35)31(22(15)34)18-6-7-19(32)29-21(18)33/h4-5,9-12,18H,2-3,6-8H2,1H3,(H2,25,28,36)(H,29,32,33).

What are the key properties of 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea?

1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea has a molecular weight of 489.49 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-3-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 166425552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).