2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen

C44H54N10O6 — CID 165137852

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen (PubChem CID 165137852) has the molecular formula C44H54N10O6 and a molecular weight of 818.98 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen
• PubChem CID: 165137852
• Molecular Formula: C44H54N10O6
• Molecular Weight: 818.98 g/mol
• Exact Mass: 818.42
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen
• SMILES: CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C[C@@H]6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)C(=O)C6)CC5)ncn4)c3c2)CC1.[H][H].[H][H]
• InChI: InChI=1S/C44H50N10O6.2H2/c1-44(11-12-44)60-30-3-5-34-33(22-30)40(49-48-34)35-23-37(46-26-45-35)52-18-16-50(17-19-52)24-28-10-15-53(39(56)20-28)25-27-8-13-51(14-9-27)29-2-4-31-32(21-29)43(59)54(42(31)58)36-6-7-38(55)47-41(36)57;;/h2-5,21-23,26-28,36H,6-20,24-25H2,1H3,(H,48,49)(H,47,55,57);2*1H/t28-,36?;;/m1../s1
• InChIKey: KFIAFJWJAWJEBN-RRYGWHIZSA-N
• XLogP: 4.12
• TPSA: 177.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.98
LogP ≤ 5	4.12
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-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen (CID 165137852) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(C[C@@H]6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)C(=O)C6)CC5)ncn4)c3c2)CC1.[H][H].[H][H].

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen?

The InChIKey is KFIAFJWJAWJEBN-RRYGWHIZSA-N. The full InChI is InChI=1S/C44H50N10O6.2H2/c1-44(11-12-44)60-30-3-5-34-33(22-30)40(49-48-34)35-23-37(46-26-45-35)52-18-16-50(17-19-52)24-28-10-15-53(39(56)20-28)25-27-8-13-51(14-9-27)29-2-4-31-32(21-29)43(59)54(42(31)58)36-6-7-38(55)47-41(36)57;;/h2-5,21-23,26-28,36H,6-20,24-25H2,1H3,(H,48,49)(H,47,55,57);2*1H/t28-,36?;;/m1../s1.

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen has a molecular weight of 818.98 g/mol, XLogP of 4.12, 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-[[(4R)-4-[[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-2-oxopiperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione;molecular hydrogen is sourced from PubChem (CID 165137852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).