4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide

C33H32N6O8 — CID 163373755

About 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide

4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide (PubChem CID 163373755) has the molecular formula C33H32N6O8 and a molecular weight of 640.65 g/mol. Its IUPAC name is 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide
• PubChem CID: 163373755
• Molecular Formula: C33H32N6O8
• Molecular Weight: 640.65 g/mol
• Exact Mass: 640.23
• IUPAC Name: 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCC12CC(C1)C(C(=O)NCCOc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C33H32N6O8/c34-28-26(12-23(37-38-28)20-3-1-2-4-25(20)40)47-16-33-13-17(14-33)22(15-33)29(42)35-9-10-46-18-5-6-19-21(11-18)32(45)39(31(19)44)24-7-8-27(41)36-30(24)43/h1-6,11-12,17,22,24,40H,7-10,13-16H2,(H2,34,38)(H,35,42)(H,36,41,43)
• InChIKey: HBGQYPGDKMMPFB-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 203.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.65
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide?

The IUPAC name of 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide (CID 163373755) is 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide.

What is the SMILES notation for 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide?

The canonical SMILES for 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide is Nc1nnc(-c2ccccc2O)cc1OCC12CC(C1)C(C(=O)NCCOc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide?

The InChIKey is HBGQYPGDKMMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6O8/c34-28-26(12-23(37-38-28)20-3-1-2-4-25(20)40)47-16-33-13-17(14-33)22(15-33)29(42)35-9-10-46-18-5-6-19-21(11-18)32(45)39(31(19)44)24-7-8-27(41)36-30(24)43/h1-6,11-12,17,22,24,40H,7-10,13-16H2,(H2,34,38)(H,35,42)(H,36,41,43).

What are the key properties of 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide?

4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide has a molecular weight of 640.65 g/mol, XLogP of 1.82, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]bicyclo[2.1.1]hexane-2-carboxamide is sourced from PubChem (CID 163373755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).