4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C51H66N10O8 — CID 167243108

About 4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167243108) has the molecular formula C51H66N10O8 and a molecular weight of 947.15 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]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-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167243108
• Molecular Formula: C51H66N10O8
• Molecular Weight: 947.15 g/mol
• Exact Mass: 946.51
• IUPAC Name: 4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cc1ccc(CNc2ncc(-c3ccc(CN4CCN(CCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)c(NC3CCCCC3)n2)cc1
• InChI: InChI=1S/C51H66N10O8/c1-36-10-12-37(13-11-36)32-54-51-55-34-41(47(58-51)56-39-6-3-2-4-7-39)42-15-14-38(33-53-42)35-60-21-19-59(20-22-60)23-25-67-27-29-69-31-30-68-28-26-66-24-18-52-43-9-5-8-40-46(43)50(65)61(49(40)64)44-16-17-45(62)57-48(44)63/h5,8-15,33-34,39,44,52H,2-4,6-7,16-32,35H2,1H3,(H,57,62,63)(H2,54,55,56,58)
• InChIKey: NADFBEGAXNSGJU-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 201.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.15
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]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-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167243108) is 4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]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-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]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-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1ccc(CNc2ncc(-c3ccc(CN4CCN(CCOCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)c(NC3CCCCC3)n2)cc1.

What is the InChIKey of 4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is NADFBEGAXNSGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H66N10O8/c1-36-10-12-37(13-11-36)32-54-51-55-34-41(47(58-51)56-39-6-3-2-4-7-39)42-15-14-38(33-53-42)35-60-21-19-59(20-22-60)23-25-67-27-29-69-31-30-68-28-26-66-24-18-52-43-9-5-8-40-46(43)50(65)61(49(40)64)44-16-17-45(62)57-48(44)63/h5,8-15,33-34,39,44,52H,2-4,6-7,16-32,35H2,1H3,(H,57,62,63)(H2,54,55,56,58).

What are the key properties of 4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 947.15 g/mol, XLogP of 4.90, 25 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[2-[2-[4-[[6-[4-(cyclohexylamino)-2-[(4-methylphenyl)methylamino]pyrimidin-5-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167243108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).