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

C45H51N9O7 — CID 165137073

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 165137073) has the molecular formula C45H51N9O7 and a molecular weight of 829.96 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 165137073
• Molecular Formula: C45H51N9O7
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.39
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: CC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(COC6CCN(C(=O)C7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)ncn4)c3c2)CC1
• InChI: InChI=1S/C45H51N9O7/c1-45(14-15-45)61-31-3-5-35-34(23-31)40(50-49-35)36-24-38(47-26-46-36)52-16-8-27(9-17-52)25-60-30-12-20-53(21-13-30)42(57)28-10-18-51(19-11-28)29-2-4-32-33(22-29)44(59)54(43(32)58)37-6-7-39(55)48-41(37)56/h2-5,22-24,26-28,30,37H,6-21,25H2,1H3,(H,49,50)(H,48,55,56)
• InChIKey: VFIJQCMQTPYGDC-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 183.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.96
LogP ≤ 5	4.49
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-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione (CID 165137073) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]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-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(COC6CCN(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-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is VFIJQCMQTPYGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H51N9O7/c1-45(14-15-45)61-31-3-5-35-34(23-31)40(50-49-35)36-24-38(47-26-46-36)52-16-8-27(9-17-52)25-60-30-12-20-53(21-13-30)42(57)28-10-18-51(19-11-28)29-2-4-32-33(22-29)44(59)54(43(32)58)37-6-7-39(55)48-41(37)56/h2-5,22-24,26-28,30,37H,6-21,25H2,1H3,(H,49,50)(H,48,55,56).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 829.96 g/mol, XLogP of 4.49, 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-[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 165137073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).