ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate

C30H33N5O6 — CID 156500597

About ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate

ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate (PubChem CID 156500597) has the molecular formula C30H33N5O6 and a molecular weight of 559.62 g/mol. Its IUPAC name is ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate
• PubChem CID: 156500597
• Molecular Formula: C30H33N5O6
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.24
• IUPAC Name: ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate
• SMILES: CCOC(=O)c1cccc2n[nH]c(CN3CCCC[C@@H]3COc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c12
• InChI: InChI=1S/C30H33N5O6/c1-2-40-30(39)22-7-5-8-23-27(22)24(33-32-23)16-34-13-4-3-6-19(34)17-41-20-9-10-21-18(14-20)15-35(29(21)38)25-11-12-26(36)31-28(25)37/h5,7-10,14,19,25H,2-4,6,11-13,15-17H2,1H3,(H,32,33)(H,31,36,37)/t19-,25?/m1/s1
• InChIKey: FLNLPDUULSFWQJ-OEPVSBQMSA-N
• XLogP: 2.93
• TPSA: 133.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate?

The IUPAC name of ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate (CID 156500597) is ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate.

What is the SMILES notation for ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate?

The canonical SMILES for ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate is CCOC(=O)c1cccc2n[nH]c(CN3CCCC[C@@H]3COc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c12.

What is the InChIKey of ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate?

The InChIKey is FLNLPDUULSFWQJ-OEPVSBQMSA-N. The full InChI is InChI=1S/C30H33N5O6/c1-2-40-30(39)22-7-5-8-23-27(22)24(33-32-23)16-34-13-4-3-6-19(34)17-41-20-9-10-21-18(14-20)15-35(29(21)38)25-11-12-26(36)31-28(25)37/h5,7-10,14,19,25H,2-4,6,11-13,15-17H2,1H3,(H,32,33)(H,31,36,37)/t19-,25?/m1/s1.

What are the key properties of ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate?

ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate has a molecular weight of 559.62 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]-2H-indazole-4-carboxylate is sourced from PubChem (CID 156500597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).