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

C44H50N10O6 — CID 165136538

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 165136538) has the molecular formula C44H50N10O6 and a molecular weight of 814.95 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 165136538
• Molecular Formula: C44H50N10O6
• Molecular Weight: 814.95 g/mol
• Exact Mass: 814.39
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: CC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(C(=O)N6CCC(CN7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)CC5)ncn4)c3c2)CC1
• InChI: InChI=1S/C44H50N10O6/c1-44(12-13-44)60-30-3-5-34-33(23-30)39(49-48-34)35-24-37(46-26-45-35)52-16-10-28(11-17-52)41(57)53-14-8-27(9-15-53)25-50-18-20-51(21-19-50)29-2-4-31-32(22-29)43(59)54(42(31)58)36-6-7-38(55)47-40(36)56/h2-5,22-24,26-28,36H,6-21,25H2,1H3,(H,48,49)(H,47,55,56)
• InChIKey: OQCJWYNZUINJBI-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 177.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.95
LogP ≤ 5	3.63
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-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (CID 165136538) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(C(=O)N6CCC(CN7CCN(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-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is OQCJWYNZUINJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N10O6/c1-44(12-13-44)60-30-3-5-34-33(23-30)39(49-48-34)35-24-37(46-26-45-35)52-16-10-28(11-17-52)41(57)53-14-8-27(9-15-53)25-50-18-20-51(21-19-50)29-2-4-31-32(22-29)43(59)54(42(31)58)36-6-7-38(55)47-40(36)56/h2-5,22-24,26-28,36H,6-21,25H2,1H3,(H,48,49)(H,47,55,56).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 814.95 g/mol, XLogP of 3.63, 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-[[1-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 165136538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).