2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione

C44H49FN10O6 — CID 165136510

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 165136510) has the molecular formula C44H49FN10O6 and a molecular weight of 832.94 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 165136510
• Molecular Formula: C44H49FN10O6
• Molecular Weight: 832.94 g/mol
• Exact Mass: 832.38
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(CC6(F)CCN(C(=O)C7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)ncn4)c3c2)CC1
• InChI: InChI=1S/C44H49FN10O6/c1-43(10-11-43)61-29-3-5-33-32(23-29)38(50-49-33)34-24-36(47-26-46-34)53-20-18-51(19-21-53)25-44(45)12-16-54(17-13-44)40(58)27-8-14-52(15-9-27)28-2-4-30-31(22-28)42(60)55(41(30)59)35-6-7-37(56)48-39(35)57/h2-5,22-24,26-27,35H,6-21,25H2,1H3,(H,49,50)(H,48,56,57)
• InChIKey: NNXWMKPGJGUZGL-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 177.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.94
LogP ≤ 5	3.72
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-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione (CID 165136510) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(CC6(F)CCN(C(=O)C7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)ncn4)c3c2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is NNXWMKPGJGUZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49FN10O6/c1-43(10-11-43)61-29-3-5-33-32(23-29)38(50-49-33)34-24-36(47-26-46-34)53-20-18-51(19-21-53)25-44(45)12-16-54(17-13-44)40(58)27-8-14-52(15-9-27)28-2-4-30-31(22-28)42(60)55(41(30)59)35-6-7-37(56)48-39(35)57/h2-5,22-24,26-27,35H,6-21,25H2,1H3,(H,49,50)(H,48,56,57).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 832.94 g/mol, XLogP of 3.72, 9 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-[4-fluoro-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 165136510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).