5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C38H38N6O8 — CID 171400840

About 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 171400840) has the molecular formula C38H38N6O8 and a molecular weight of 706.76 g/mol. Its IUPAC name is 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 171400840
• Molecular Formula: C38H38N6O8
• Molecular Weight: 706.76 g/mol
• Exact Mass: 706.28
• IUPAC Name: 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCC12CC(C(=O)N3CCC4(CC3)CC(Oc3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)C4)(C1)C2
• InChI: InChI=1S/C38H38N6O8/c39-31-29(14-26(41-42-31)24-3-1-2-4-28(24)45)51-20-37-17-38(18-37,19-37)35(50)43-11-9-36(10-12-43)15-22(16-36)52-21-5-6-23-25(13-21)34(49)44(33(23)48)27-7-8-30(46)40-32(27)47/h1-6,13-14,22,27,45H,7-12,15-20H2,(H2,39,42)(H,40,46,47)
• InChIKey: OGBLXERMTXYDNZ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 194.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.76
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 171400840) is 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Nc1nnc(-c2ccccc2O)cc1OCC12CC(C(=O)N3CCC4(CC3)CC(Oc3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)C4)(C1)C2.

What is the InChIKey of 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is OGBLXERMTXYDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N6O8/c39-31-29(14-26(41-42-31)24-3-1-2-4-28(24)45)51-20-37-17-38(18-37,19-37)35(50)43-11-9-36(10-12-43)15-22(16-36)52-21-5-6-23-25(13-21)34(49)44(33(23)48)27-7-8-30(46)40-32(27)47/h1-6,13-14,22,27,45H,7-12,15-20H2,(H2,39,42)(H,40,46,47).

What are the key properties of 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 706.76 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[7-[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 171400840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).