3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione

C49H52FN5O5 — CID 170729398

About 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione

3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione (PubChem CID 170729398) has the molecular formula C49H52FN5O5 and a molecular weight of 809.98 g/mol. Its IUPAC name is 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
• PubChem CID: 170729398
• Molecular Formula: C49H52FN5O5
• Molecular Weight: 809.98 g/mol
• Exact Mass: 809.40
• IUPAC Name: 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCC6(CC5)CN(c5ccc([C@H]7c8ccc(O)cc8CCC7c7ccccc7)cc5F)C6)CCN43)C2=O)C(=O)N1
• InChI: InChI=1S/C49H52FN5O5/c50-40-23-33(45-36(31-4-2-1-3-5-31)9-6-32-22-35(56)8-10-37(32)45)7-12-41(40)53-28-49(29-53)18-16-30(17-19-49)24-52-20-21-54-34(25-52)27-60-46-39-26-55(43-14-15-44(57)51-47(43)58)48(59)38(39)11-13-42(46)54/h1-5,7-8,10-13,22-23,30,34,36,43,45,56H,6,9,14-21,24-29H2,(H,51,57,58)/t34-,36?,43?,45-/m1/s1
• InChIKey: FHZKPUIUWTZPTL-LYCLFSNASA-N
• XLogP: 6.73
• TPSA: 105.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.98
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?

The IUPAC name of 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione (CID 170729398) is 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OC[C@H]3CN(CC5CCC6(CC5)CN(c5ccc([C@H]7c8ccc(O)cc8CCC7c7ccccc7)cc5F)C6)CCN43)C2=O)C(=O)N1.

What is the InChIKey of 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?

The InChIKey is FHZKPUIUWTZPTL-LYCLFSNASA-N. The full InChI is InChI=1S/C49H52FN5O5/c50-40-23-33(45-36(31-4-2-1-3-5-31)9-6-32-22-35(56)8-10-37(32)45)7-12-41(40)53-28-49(29-53)18-16-30(17-19-49)24-52-20-21-54-34(25-52)27-60-46-39-26-55(43-14-15-44(57)51-47(43)58)48(59)38(39)11-13-42(46)54/h1-5,7-8,10-13,22-23,30,34,36,43,45,56H,6,9,14-21,24-29H2,(H,51,57,58)/t34-,36?,43?,45-/m1/s1.

What are the key properties of 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?

3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione has a molecular weight of 809.98 g/mol, XLogP of 6.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7R)-5-[[2-[2-fluoro-4-[(1S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2-azaspiro[3.5]nonan-7-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione is sourced from PubChem (CID 170729398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).