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

C37H39N7O7 — CID 163373798

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

3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 163373798) has the molecular formula C37H39N7O7 and a molecular weight of 693.76 g/mol. Its IUPAC name is 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 163373798
• Molecular Formula: C37H39N7O7
• Molecular Weight: 693.76 g/mol
• Exact Mass: 693.29
• IUPAC Name: 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCC12CC(C(=O)NCCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)(C1)C2
• InChI: InChI=1S/C37H39N7O7/c38-31-29(16-26(41-42-31)24-3-1-2-4-28(24)45)51-20-36-17-37(18-36,19-36)35(50)39-12-9-21-10-13-43(14-11-21)22-5-6-23-25(15-22)34(49)44(33(23)48)27-7-8-30(46)40-32(27)47/h1-6,15-16,21,27,45H,7-14,17-20H2,(H2,38,42)(H,39,50)(H,40,46,47)
• InChIKey: NBOYVGZBWHEVJL-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 197.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.76
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'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-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 163373798) is 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]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-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is Nc1nnc(-c2ccccc2O)cc1OCC12CC(C(=O)NCCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)(C1)C2.

What is the InChIKey of 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is NBOYVGZBWHEVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N7O7/c38-31-29(16-26(41-42-31)24-3-1-2-4-28(24)45)51-20-36-17-37(18-36,19-36)35(50)39-12-9-21-10-13-43(14-11-21)22-5-6-23-25(15-22)34(49)44(33(23)48)27-7-8-30(46)40-32(27)47/h1-6,15-16,21,27,45H,7-14,17-20H2,(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-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide?

3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 693.76 g/mol, XLogP of 2.80, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-N-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 163373798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).