4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C36H48N8O9 — CID 175851729

About 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 175851729) has the molecular formula C36H48N8O9 and a molecular weight of 737.83 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 175851729
• Molecular Formula: C36H48N8O9
• Molecular Weight: 737.83 g/mol
• Exact Mass: 737.36
• IUPAC Name: 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: [2H]c1nc([C@@H]2CCCN2CCCOCCOCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n2ccnc(N)c12
• InChI: InChI=1S/C36H48N8O9/c37-32-29-24-40-33(43(29)13-9-39-32)27-6-2-11-42(27)12-3-14-49-16-18-51-20-22-53-23-21-52-19-17-50-15-10-38-26-5-1-4-25-31(26)36(48)44(35(25)47)28-7-8-30(45)41-34(28)46/h1,4-5,9,13,24,27-28,38H,2-3,6-8,10-12,14-23H2,(H2,37,39)(H,41,45,46)/t27-,28?/m0/s1/i24D
• InChIKey: ZZRVMCHQNJLQLX-ACLKXSNDSA-N
• XLogP: 1.43
• TPSA: 201.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.83
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 175851729) is 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is [2H]c1nc([C@@H]2CCCN2CCCOCCOCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n2ccnc(N)c12.

What is the InChIKey of 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is ZZRVMCHQNJLQLX-ACLKXSNDSA-N. The full InChI is InChI=1S/C36H48N8O9/c37-32-29-24-40-33(43(29)13-9-39-32)27-6-2-11-42(27)12-3-14-49-16-18-51-20-22-53-23-21-52-19-17-50-15-10-38-26-5-1-4-25-31(26)36(48)44(35(25)47)28-7-8-30(45)41-34(28)46/h1,4-5,9,13,24,27-28,38H,2-3,6-8,10-12,14-23H2,(H2,37,39)(H,41,45,46)/t27-,28?/m0/s1/i24D.

What are the key properties of 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 737.83 g/mol, XLogP of 1.43, 22 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[2-[2-[3-[(2S)-2-(8-amino-1-deuterioimidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 175851729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).