N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide

C40H47N7O7 — CID 163373862

About N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide

N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide (PubChem CID 163373862) has the molecular formula C40H47N7O7 and a molecular weight of 737.86 g/mol. Its IUPAC name is N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide.

Molecular Properties

• Compound Name: N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide
• PubChem CID: 163373862
• Molecular Formula: C40H47N7O7
• Molecular Weight: 737.86 g/mol
• Exact Mass: 737.35
• IUPAC Name: N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide
• SMILES: Nc1nnc(-c2ccccc2O)cc1OCC1CC2(CNC(=O)CCCCCCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1C2
• InChI: InChI=1S/C40H47N7O7/c41-36-33(18-30(45-46-36)28-9-6-7-10-32(28)48)54-22-25-21-40(19-24(25)20-40)23-43-34(49)11-5-3-1-2-4-8-16-42-26-12-13-27-29(17-26)39(53)47(38(27)52)31-14-15-35(50)44-37(31)51/h6-7,9-10,12-13,17-18,24-25,31,42,48H,1-5,8,11,14-16,19-23H2,(H2,41,46)(H,43,49)(H,44,50,51)
• InChIKey: HOKWCLDASDYWSZ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 205.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.86
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	5
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[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide?

The IUPAC name of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide (CID 163373862) is N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide.

What is the SMILES notation for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide?

The canonical SMILES for N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide is Nc1nnc(-c2ccccc2O)cc1OCC1CC2(CNC(=O)CCCCCCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1C2.

What is the InChIKey of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide?

The InChIKey is HOKWCLDASDYWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47N7O7/c41-36-33(18-30(45-46-36)28-9-6-7-10-32(28)48)54-22-25-21-40(19-24(25)20-40)23-43-34(49)11-5-3-1-2-4-8-16-42-26-12-13-27-29(17-26)39(53)47(38(27)52)31-14-15-35(50)44-37(31)51/h6-7,9-10,12-13,17-18,24-25,31,42,48H,1-5,8,11,14-16,19-23H2,(H2,41,46)(H,43,49)(H,44,50,51).

What are the key properties of N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide?

N-[[3-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxymethyl]-1-bicyclo[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide has a molecular weight of 737.86 g/mol, XLogP of 4.59, 17 rotatable bonds, 5 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[2.1.1]hexanyl]methyl]-9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanamide is sourced from PubChem (CID 163373862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).