3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione

C59H60N6O7 — CID 167478632

About 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione (PubChem CID 167478632) has the molecular formula C59H60N6O7 and a molecular weight of 965.16 g/mol. Its IUPAC name is 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione
• PubChem CID: 167478632
• Molecular Formula: C59H60N6O7
• Molecular Weight: 965.16 g/mol
• Exact Mass: 964.45
• IUPAC Name: 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione
• SMILES: Cn1nc(C2CCC(=O)NC2=O)c2cccc(OCC(=O)N3CCN(CCCCOc4ccc(CC5(C)C(c6ccc(OCc7ccccc7)cc6)=Nc6ccc(OCc7ccccc7)cc65)cc4)CC3)c21
• InChI: InChI=1S/C59H60N6O7/c1-59(50-36-47(71-39-43-14-7-4-8-15-43)26-28-51(50)60-57(59)44-20-24-46(25-21-44)70-38-42-12-5-3-6-13-42)37-41-18-22-45(23-19-41)69-35-10-9-30-64-31-33-65(34-32-64)54(67)40-72-52-17-11-16-48-55(62-63(2)56(48)52)49-27-29-53(66)61-58(49)68/h3-8,11-26,28,36,49H,9-10,27,29-35,37-40H2,1-2H3,(H,61,66,68)
• InChIKey: OCAZIDMJUPJZFE-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 136.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.16
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	1
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 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione (CID 167478632) is 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2cccc(OCC(=O)N3CCN(CCCCOc4ccc(CC5(C)C(c6ccc(OCc7ccccc7)cc6)=Nc6ccc(OCc7ccccc7)cc65)cc4)CC3)c21.

What is the InChIKey of 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione?

The InChIKey is OCAZIDMJUPJZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H60N6O7/c1-59(50-36-47(71-39-43-14-7-4-8-15-43)26-28-51(50)60-57(59)44-20-24-46(25-21-44)70-38-42-12-5-3-6-13-42)37-41-18-22-45(23-19-41)69-35-10-9-30-64-31-33-65(34-32-64)54(67)40-72-52-17-11-16-48-55(62-63(2)56(48)52)49-27-29-53(66)61-58(49)68/h3-8,11-26,28,36,49H,9-10,27,29-35,37-40H2,1-2H3,(H,61,66,68).

What are the key properties of 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione?

3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 965.16 g/mol, XLogP of 9.27, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-methyl-7-[2-[4-[4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 167478632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).