4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide

C38H39N7O9 — CID 168740549

About 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide

4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 168740549) has the molecular formula C38H39N7O9 and a molecular weight of 737.77 g/mol. Its IUPAC name is 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide
• PubChem CID: 168740549
• Molecular Formula: C38H39N7O9
• Molecular Weight: 737.77 g/mol
• Exact Mass: 737.28
• IUPAC Name: 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCCc1ccc(C(=O)NCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C38H39N7O9/c39-34-31(22-28(43-44-34)25-4-1-2-7-30(25)46)54-17-14-23-8-10-24(11-9-23)35(48)41-16-19-53-21-20-52-18-15-40-27-6-3-5-26-33(27)38(51)45(37(26)50)29-12-13-32(47)42-36(29)49/h1-11,22,29,40,46H,12-21H2,(H2,39,44)(H,41,48)(H,42,47,49)
• InChIKey: BKLHAIFZOSEXQX-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 224.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.77
LogP ≤ 5	2.33
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 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide?

The IUPAC name of 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide (CID 168740549) is 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide.

What is the SMILES notation for 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide?

The canonical SMILES for 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide is Nc1nnc(-c2ccccc2O)cc1OCCc1ccc(C(=O)NCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide?

The InChIKey is BKLHAIFZOSEXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N7O9/c39-34-31(22-28(43-44-34)25-4-1-2-7-30(25)46)54-17-14-23-8-10-24(11-9-23)35(48)41-16-19-53-21-20-52-18-15-40-27-6-3-5-26-33(27)38(51)45(37(26)50)29-12-13-32(47)42-36(29)49/h1-11,22,29,40,46H,12-21H2,(H2,39,44)(H,41,48)(H,42,47,49).

What are the key properties of 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide?

4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 737.77 g/mol, XLogP of 2.33, 17 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 168740549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).