5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide

C38H37N7O10 — CID 157396554

About 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide

5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide (PubChem CID 157396554) has the molecular formula C38H37N7O10 and a molecular weight of 751.75 g/mol. Its IUPAC name is 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 157396554
• Molecular Formula: C38H37N7O10
• Molecular Weight: 751.75 g/mol
• Exact Mass: 751.26
• IUPAC Name: 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide
• SMILES: CN1NC(c2nc3cc(NC(=O)c4ccc(OCCOCCOCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cn4)ccc3o2)C=CC1=O
• InChI: InChI=1S/C38H37N7O10/c1-44-32(47)14-10-27(43-44)36-41-28-20-23(7-12-30(28)55-36)40-34(48)26-9-8-24(21-39-26)54-19-18-53-17-16-52-15-3-5-22-4-2-6-25-33(22)38(51)45(37(25)50)29-11-13-31(46)42-35(29)49/h2,4,6-10,12,14,20-21,27,29,43H,3,5,11,13,15-19H2,1H3,(H,40,48)(H,42,46,49)
• InChIKey: GCASOPBXJNYSDT-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 211.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.75
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
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 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide (CID 157396554) is 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide is CN1NC(c2nc3cc(NC(=O)c4ccc(OCCOCCOCCCc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cn4)ccc3o2)C=CC1=O.

What is the InChIKey of 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?

The InChIKey is GCASOPBXJNYSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N7O10/c1-44-32(47)14-10-27(43-44)36-41-28-20-23(7-12-30(28)55-36)40-34(48)26-9-8-24(21-39-26)54-19-18-53-17-16-52-15-3-5-22-4-2-6-25-33(22)38(51)45(37(25)50)29-11-13-31(46)42-35(29)49/h2,4,6-10,12,14,20-21,27,29,43H,3,5,11,13,15-19H2,1H3,(H,40,48)(H,42,46,49).

What are the key properties of 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide?

5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide has a molecular weight of 751.75 g/mol, XLogP of 2.49, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)-1,3-benzoxazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 157396554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).