3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide

C36H39N7O9 — CID 163373824

About 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 163373824) has the molecular formula C36H39N7O9 and a molecular weight of 713.75 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-5-yl]amino]ethoxy]ethoxy]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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 163373824
• Molecular Formula: C36H39N7O9
• Molecular Weight: 713.75 g/mol
• Exact Mass: 713.28
• 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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCC12CC(C(=O)NCCOCCOCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2
• InChI: InChI=1S/C36H39N7O9/c37-30-28(16-25(41-42-30)23-3-1-2-4-27(23)44)52-20-35-17-36(18-35,19-35)34(49)39-10-12-51-14-13-50-11-9-38-21-5-6-22-24(15-21)33(48)43(32(22)47)26-7-8-29(45)40-31(26)46/h1-6,15-16,26,38,44H,7-14,17-20H2,(H2,37,42)(H,39,49)(H,40,45,46)
• InChIKey: DTOFOEKMSZMAKG-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 224.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.75
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	5
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-5-yl]amino]ethoxy]ethoxy]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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 163373824) is 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]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-5-yl]amino]ethoxy]ethoxy]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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is Nc1nnc(-c2ccccc2O)cc1OCC12CC(C(=O)NCCOCCOCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2.

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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is DTOFOEKMSZMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N7O9/c37-30-28(16-25(41-42-30)23-3-1-2-4-27(23)44)52-20-35-17-36(18-35,19-35)34(49)39-10-12-51-14-13-50-11-9-38-21-5-6-22-24(15-21)33(48)43(32(22)47)26-7-8-29(45)40-31(26)46/h1-6,15-16,26,38,44H,7-14,17-20H2,(H2,37,42)(H,39,49)(H,40,45,46).

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-5-yl]amino]ethoxy]ethoxy]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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 713.75 g/mol, XLogP of 1.64, 16 rotatable bonds, 5 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-5-yl]amino]ethoxy]ethoxy]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 163373824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).