N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide

C37H40N6O10 — CID 167080050

About N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide

N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide (PubChem CID 167080050) has the molecular formula C37H40N6O10 and a molecular weight of 728.76 g/mol. Its IUPAC name is N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide
• PubChem CID: 167080050
• Molecular Formula: C37H40N6O10
• Molecular Weight: 728.76 g/mol
• Exact Mass: 728.28
• IUPAC Name: N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCCC12CC(NC(=O)CCOCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2
• InChI: InChI=1S/C37H40N6O10/c38-32-29(18-26(41-42-32)24-3-1-2-4-28(24)44)53-12-10-36-19-37(20-36,21-36)40-31(46)9-11-50-13-14-51-15-16-52-22-5-6-23-25(17-22)35(49)43(34(23)48)27-7-8-30(45)39-33(27)47/h1-6,17-18,27,44H,7-16,19-21H2,(H2,38,42)(H,40,46)(H,39,45,47)
• InChIKey: FHOPVUVXCVHPFS-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 221.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.76
LogP ≤ 5	2.14
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 N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide?

The IUPAC name of N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide (CID 167080050) is N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide.

What is the SMILES notation for N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide?

The canonical SMILES for N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide is Nc1nnc(-c2ccccc2O)cc1OCCC12CC(NC(=O)CCOCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2.

What is the InChIKey of N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide?

The InChIKey is FHOPVUVXCVHPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N6O10/c38-32-29(18-26(41-42-32)24-3-1-2-4-28(24)44)53-12-10-36-19-37(20-36,21-36)40-31(46)9-11-50-13-14-51-15-16-52-22-5-6-23-25(17-22)35(49)43(34(23)48)27-7-8-30(45)39-33(27)47/h1-6,17-18,27,44H,7-16,19-21H2,(H2,38,42)(H,40,46)(H,39,45,47).

What are the key properties of N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide?

N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide has a molecular weight of 728.76 g/mol, XLogP of 2.14, 17 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]-1-bicyclo[1.1.1]pentanyl]-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]propanamide is sourced from PubChem (CID 167080050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).