N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide

C34H34N6O8 — CID 167079988

About N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide

N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide (PubChem CID 167079988) has the molecular formula C34H34N6O8 and a molecular weight of 654.68 g/mol. Its IUPAC name is N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide.

Molecular Properties

• Compound Name: N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide
• PubChem CID: 167079988
• Molecular Formula: C34H34N6O8
• Molecular Weight: 654.68 g/mol
• Exact Mass: 654.24
• IUPAC Name: N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCC12CC(CNC(=O)CCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2
• InChI: InChI=1S/C34H34N6O8/c35-29-25(13-21(38-39-29)19-5-1-2-7-23(19)41)48-18-34-14-33(15-34,16-34)17-36-26(42)9-4-12-47-24-8-3-6-20-28(24)32(46)40(31(20)45)22-10-11-27(43)37-30(22)44/h1-3,5-8,13,22,41H,4,9-12,14-18H2,(H2,35,39)(H,36,42)(H,37,43,44)
• InChIKey: PCAAKVTUYXAMRR-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 203.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.68
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide?

The IUPAC name of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide (CID 167079988) is N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide.

What is the SMILES notation for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide?

The canonical SMILES for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide is Nc1nnc(-c2ccccc2O)cc1OCC12CC(CNC(=O)CCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2.

What is the InChIKey of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide?

The InChIKey is PCAAKVTUYXAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O8/c35-29-25(13-21(38-39-29)19-5-1-2-7-23(19)41)48-18-34-14-33(15-34,16-34)17-36-26(42)9-4-12-47-24-8-3-6-20-28(24)32(46)40(31(20)45)22-10-11-27(43)37-30(22)44/h1-3,5-8,13,22,41H,4,9-12,14-18H2,(H2,35,39)(H,36,42)(H,37,43,44).

What are the key properties of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide?

N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide has a molecular weight of 654.68 g/mol, XLogP of 2.36, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanamide is sourced from PubChem (CID 167079988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).