5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C54H60N10O8 — CID 167326840

About 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167326840) has the molecular formula C54H60N10O8 and a molecular weight of 977.14 g/mol. Its IUPAC name is 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167326840
• Molecular Formula: C54H60N10O8
• Molecular Weight: 977.14 g/mol
• Exact Mass: 976.46
• IUPAC Name: 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Nc1nnc(-c2ccccc2O)cc1N1CC2CCC(C1)N2c1cccc(OC2CCC(CC(=O)N3CC4(C3)CN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)C4)CC2)c1
• InChI: InChI=1S/C54H60N10O8/c55-49-45(25-43(57-58-49)41-6-1-2-7-46(41)65)60-26-36-10-11-37(27-60)63(36)35-4-3-5-39(23-35)72-38-13-8-32(9-14-38)22-48(67)61-28-54(29-61)30-62(31-54)51(69)33-18-20-59(21-19-33)34-12-15-40-42(24-34)53(71)64(52(40)70)44-16-17-47(66)56-50(44)68/h1-7,12,15,23-25,32-33,36-38,44,65H,8-11,13-14,16-22,26-31H2,(H2,55,58)(H,56,66,68)
• InChIKey: YVXZDZTZKFBOOU-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 215.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.14
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167326840) is 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Nc1nnc(-c2ccccc2O)cc1N1CC2CCC(C1)N2c1cccc(OC2CCC(CC(=O)N3CC4(C3)CN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)C4)CC2)c1.

What is the InChIKey of 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is YVXZDZTZKFBOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60N10O8/c55-49-45(25-43(57-58-49)41-6-1-2-7-46(41)65)60-26-36-10-11-37(27-60)63(36)35-4-3-5-39(23-35)72-38-13-8-32(9-14-38)22-48(67)61-28-54(29-61)30-62(31-54)51(69)33-18-20-59(21-19-33)34-12-15-40-42(24-34)53(71)64(52(40)70)44-16-17-47(66)56-50(44)68/h1-7,12,15,23-25,32-33,36-38,44,65H,8-11,13-14,16-22,26-31H2,(H2,55,58)(H,56,66,68).

What are the key properties of 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 977.14 g/mol, XLogP of 4.61, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[6-[2-[4-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]cyclohexyl]acetyl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167326840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).