2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

C42H51N11O5 — CID 156867251

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 156867251) has the molecular formula C42H51N11O5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 156867251
• Molecular Formula: C42H51N11O5
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.41
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CCN5CC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncn3)c2c1
• InChI: InChI=1S/C42H51N11O5/c1-27(2)58-30-4-6-34-33(22-30)39(47-46-34)35-23-37(44-26-43-35)52-19-15-49(16-20-52)11-12-50-24-28(25-50)9-10-48-13-17-51(18-14-48)29-3-5-31-32(21-29)42(57)53(41(31)56)36-7-8-38(54)45-40(36)55/h3-6,21-23,26-28,36H,7-20,24-25H2,1-2H3,(H,46,47)(H,45,54,55)
• InChIKey: MPXRXWBONGEYGC-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 163.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.94
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 156867251) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CCN5CC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncn3)c2c1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is MPXRXWBONGEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H51N11O5/c1-27(2)58-30-4-6-34-33(22-30)39(47-46-34)35-23-37(44-26-43-35)52-19-15-49(16-20-52)11-12-50-24-28(25-50)9-10-48-13-17-51(18-14-48)29-3-5-31-32(21-29)42(57)53(41(31)56)36-7-8-38(54)45-40(36)55/h3-6,21-23,26-28,36H,7-20,24-25H2,1-2H3,(H,46,47)(H,45,54,55).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 789.94 g/mol, XLogP of 2.47, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 156867251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).