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

C41H48N10O5 — CID 156867260

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 156867260) has the molecular formula C41H48N10O5 and a molecular weight of 760.90 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 156867260
• Molecular Formula: C41H48N10O5
• Molecular Weight: 760.90 g/mol
• Exact Mass: 760.38
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CCN5CC(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncn3)c2c1
• InChI: InChI=1S/C41H48N10O5/c1-25(2)56-29-4-6-33-32(20-29)38(46-45-33)34-21-36(43-24-42-34)50-17-15-47(16-18-50)13-14-48-22-27(23-48)26-9-11-49(12-10-26)28-3-5-30-31(19-28)41(55)51(40(30)54)35-7-8-37(52)44-39(35)53/h3-6,19-21,24-27,35H,7-18,22-23H2,1-2H3,(H,45,46)(H,44,52,53)
• InChIKey: XTFMJBGFQHTLKA-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 160.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.90
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione (CID 156867260) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CCN5CC(C6CCN(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-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is XTFMJBGFQHTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48N10O5/c1-25(2)56-29-4-6-33-32(20-29)38(46-45-33)34-21-36(43-24-42-34)50-17-15-47(16-18-50)13-14-48-22-27(23-48)26-9-11-49(12-10-26)28-3-5-30-31(19-28)41(55)51(40(30)54)35-7-8-37(52)44-39(35)53/h3-6,19-21,24-27,35H,7-18,22-23H2,1-2H3,(H,45,46)(H,44,52,53).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 760.90 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[1-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 156867260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).