2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C39H45N7O8 — CID 157287290

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 157287290) has the molecular formula C39H45N7O8 and a molecular weight of 739.83 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 157287290
• Molecular Formula: C39H45N7O8
• Molecular Weight: 739.83 g/mol
• Exact Mass: 739.33
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• SMILES: CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(CCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)[C@@H](C)C3)ncn1)=NC2
• InChI: InChI=1S/C39H45N7O8/c1-24(2)54-28-5-4-26-21-40-36(30(26)19-28)32-20-34(42-23-41-32)45-11-10-44(25(3)22-45)12-13-51-14-15-52-16-17-53-27-6-7-29-31(18-27)39(50)46(38(29)49)33-8-9-35(47)43-37(33)48/h4-7,18-20,23-25,33H,8-17,21-22H2,1-3H3,(H,43,47,48)/t25-,33?/m0/s1
• InChIKey: BAJPSQXZEIJCDC-CPMFFWQLSA-N
• XLogP: 2.64
• TPSA: 165.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.83
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 157287290) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(CCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)[C@@H](C)C3)ncn1)=NC2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The InChIKey is BAJPSQXZEIJCDC-CPMFFWQLSA-N. The full InChI is InChI=1S/C39H45N7O8/c1-24(2)54-28-5-4-26-21-40-36(30(26)19-28)32-20-34(42-23-41-32)45-11-10-44(25(3)22-45)12-13-51-14-15-52-16-17-53-27-6-7-29-31(18-27)39(50)46(38(29)49)33-8-9-35(47)43-37(33)48/h4-7,18-20,23-25,33H,8-17,21-22H2,1-3H3,(H,43,47,48)/t25-,33?/m0/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 739.83 g/mol, XLogP of 2.64, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 157287290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).