3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide

C37H41N7O9 — CID 163373737

About 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide

3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 163373737) has the molecular formula C37H41N7O9 and a molecular weight of 727.78 g/mol. Its IUPAC name is 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 163373737
• Molecular Formula: C37H41N7O9
• Molecular Weight: 727.78 g/mol
• Exact Mass: 727.30
• IUPAC Name: 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: CN(CCNC(=O)C12CC(COc3cc(-c4ccccc4O)nnc3N)(C1)C2)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C37H41N7O9/c1-43(13-14-51-15-16-52-27-8-4-6-23-30(27)34(49)44(33(23)48)25-9-10-29(46)40-32(25)47)12-11-39-35(50)37-18-36(19-37,20-37)21-53-28-17-24(41-42-31(28)38)22-5-2-3-7-26(22)45/h2-8,17,25,45H,9-16,18-21H2,1H3,(H2,38,42)(H,39,50)(H,40,46,47)
• InChIKey: RSDUZGCCJCAUBU-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 215.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.78
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 163373737) is 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is CN(CCNC(=O)C12CC(COc3cc(-c4ccccc4O)nnc3N)(C1)C2)CCOCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is RSDUZGCCJCAUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N7O9/c1-43(13-14-51-15-16-52-27-8-4-6-23-30(27)34(49)44(33(23)48)25-9-10-29(46)40-32(25)47)12-11-39-35(50)37-18-36(19-37,20-37)21-53-28-17-24(41-42-31(28)38)22-5-2-3-7-26(22)45/h2-8,17,25,45H,9-16,18-21H2,1H3,(H2,38,42)(H,39,50)(H,40,46,47).

What are the key properties of 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 727.78 g/mol, XLogP of 1.53, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethyl-methylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 163373737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).