2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide

C43H43N9O8 — CID 170751087

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide (PubChem CID 170751087) has the molecular formula C43H43N9O8 and a molecular weight of 813.87 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide
• PubChem CID: 170751087
• Molecular Formula: C43H43N9O8
• Molecular Weight: 813.87 g/mol
• Exact Mass: 813.32
• IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide
• SMILES: Cc1cccc(-c2cnc(Nc3ccc(N4CCN(C(=O)CCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c3nccn23)c1
• InChI: InChI=1S/C43H43N9O8/c1-27-4-2-5-28(24-27)33-25-46-39(40-45-15-17-51(33)40)47-29-8-10-30(11-9-29)49-18-20-50(21-19-49)37(55)14-22-59-23-16-44-36(54)26-60-34-7-3-6-31-38(34)43(58)52(42(31)57)32-12-13-35(53)48-41(32)56/h2-11,15,17,24-25,32H,12-14,16,18-23,26H2,1H3,(H,44,54)(H,46,47)(H,48,53,56)
• InChIKey: HUGYGZCKTYJRMJ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 196.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.87
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide?

The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide (CID 170751087) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide.

What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide?

The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide is Cc1cccc(-c2cnc(Nc3ccc(N4CCN(C(=O)CCOCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c3nccn23)c1.

What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide?

The InChIKey is HUGYGZCKTYJRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N9O8/c1-27-4-2-5-28(24-27)33-25-46-39(40-45-15-17-51(33)40)47-29-8-10-30(11-9-29)49-18-20-50(21-19-49)37(55)14-22-59-23-16-44-36(54)26-60-34-7-3-6-31-38(34)43(58)52(42(31)57)32-12-13-35(53)48-41(32)56/h2-11,15,17,24-25,32H,12-14,16,18-23,26H2,1H3,(H,44,54)(H,46,47)(H,48,53,56).

What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide?

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide has a molecular weight of 813.87 g/mol, XLogP of 3.10, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[3-[4-[4-[[5-(3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-3-oxopropoxy]ethyl]acetamide is sourced from PubChem (CID 170751087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).