3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

C48H51N5O6 — CID 170728500

About 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (PubChem CID 170728500) has the molecular formula C48H51N5O6 and a molecular weight of 793.97 g/mol. Its IUPAC name is 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
• PubChem CID: 170728500
• Molecular Formula: C48H51N5O6
• Molecular Weight: 793.97 g/mol
• Exact Mass: 793.38
• IUPAC Name: 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(CC3CC4(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cn5)CC4)C3)CC2)C(=O)N1
• InChI: InChI=1S/C48H51N5O6/c54-34-7-8-35-40(21-34)58-28-37(31-4-2-1-3-5-31)44(35)32-6-10-42(49-25-32)52-18-12-47(13-19-52)23-30(24-47)26-51-16-14-48(15-17-51)29-59-41-22-36-33(20-38(41)48)27-53(46(36)57)39-9-11-43(55)50-45(39)56/h1-8,10,20-22,25,30,37,39,44,54H,9,11-19,23-24,26-29H2,(H,50,55,56)/t37-,39?,44-/m0/s1
• InChIKey: HNPQTADTBSZCMP-VLFIJZMYSA-N
• XLogP: 6.28
• TPSA: 124.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.97
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The IUPAC name of 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (CID 170728500) is 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(CC3CC4(CCN(c5ccc([C@H]6c7ccc(O)cc7OC[C@H]6c6ccccc6)cn5)CC4)C3)CC2)C(=O)N1.

What is the InChIKey of 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The InChIKey is HNPQTADTBSZCMP-VLFIJZMYSA-N. The full InChI is InChI=1S/C48H51N5O6/c54-34-7-8-35-40(21-34)58-28-37(31-4-2-1-3-5-31)44(35)32-6-10-42(49-25-32)52-18-12-47(13-19-52)23-30(24-47)26-51-16-14-48(15-17-51)29-59-41-22-36-33(20-38(41)48)27-53(46(36)57)39-9-11-43(55)50-45(39)56/h1-8,10,20-22,25,30,37,39,44,54H,9,11-19,23-24,26-29H2,(H,50,55,56)/t37-,39?,44-/m0/s1.

What are the key properties of 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione has a molecular weight of 793.97 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1'-[[7-[5-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 170728500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).