4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide

C48H54N10O5 — CID 167508447

About 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide

4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 167508447) has the molecular formula C48H54N10O5 and a molecular weight of 851.03 g/mol. Its IUPAC name is 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide
• PubChem CID: 167508447
• Molecular Formula: C48H54N10O5
• Molecular Weight: 851.03 g/mol
• Exact Mass: 850.43
• IUPAC Name: 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide
• SMILES: C[C@H]1CCCN1Cc1nc2ccc(NC(=O)c3ccc(-c4cnn(C5CCN(CCC6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)c4)cc3)cc2[nH]1
• InChI: InChI=1S/C48H54N10O5/c1-30-4-3-20-56(30)29-42-51-38-12-11-35(26-39(38)52-42)50-45(60)33-9-7-32(8-10-33)34-27-49-57(28-34)36-18-22-54(23-19-36)21-15-31-16-24-55(25-17-31)40-6-2-5-37-44(40)48(63)58(47(37)62)41-13-14-43(59)53-46(41)61/h2,5-12,26-28,30-31,36,41H,3-4,13-25,29H2,1H3,(H,50,60)(H,51,52)(H,53,59,61)/t30-,41?/m0/s1
• InChIKey: ZDOPOYHIZUKMMQ-NABFJGANSA-N
• XLogP: 6.01
• TPSA: 168.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.03
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

The IUPAC name of 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide (CID 167508447) is 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide.

What is the SMILES notation for 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

The canonical SMILES for 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide is C[C@H]1CCCN1Cc1nc2ccc(NC(=O)c3ccc(-c4cnn(C5CCN(CCC6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)c4)cc3)cc2[nH]1.

What is the InChIKey of 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

The InChIKey is ZDOPOYHIZUKMMQ-NABFJGANSA-N. The full InChI is InChI=1S/C48H54N10O5/c1-30-4-3-20-56(30)29-42-51-38-12-11-35(26-39(38)52-42)50-45(60)33-9-7-32(8-10-33)34-27-49-57(28-34)36-18-22-54(23-19-36)21-15-31-16-24-55(25-17-31)40-6-2-5-37-44(40)48(63)58(47(37)62)41-13-14-43(59)53-46(41)61/h2,5-12,26-28,30-31,36,41H,3-4,13-25,29H2,1H3,(H,50,60)(H,51,52)(H,53,59,61)/t30-,41?/m0/s1.

What are the key properties of 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide?

4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 851.03 g/mol, XLogP of 6.01, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 167508447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).