2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C45H43N5O7 — CID 170728543

About 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 170728543) has the molecular formula C45H43N5O7 and a molecular weight of 765.87 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 170728543
• Molecular Formula: C45H43N5O7
• Molecular Weight: 765.87 g/mol
• Exact Mass: 765.32
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CN(c2ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
• InChI: InChI=1S/C45H43N5O7/c51-32-10-11-33-38(20-32)57-24-36(27-4-2-1-3-5-27)41(33)28-6-8-31(9-7-28)49-25-45(26-49)14-16-47(17-15-45)23-40(53)48-21-29-18-34-35(19-30(29)22-48)44(56)50(43(34)55)37-12-13-39(52)46-42(37)54/h1-11,18-20,36-37,41,51H,12-17,21-26H2,(H,46,52,54)/t36-,37?,41-/m1/s1
• InChIKey: SDEHYXMIKHJXID-QDPYUFFZSA-N
• XLogP: 4.55
• TPSA: 139.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	765.87
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 170728543) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C(=O)CN2CCC3(CC2)CN(c2ccc([C@@H]5c6ccc(O)cc6OC[C@@H]5c5ccccc5)cc2)C3)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is SDEHYXMIKHJXID-QDPYUFFZSA-N. The full InChI is InChI=1S/C45H43N5O7/c51-32-10-11-33-38(20-32)57-24-36(27-4-2-1-3-5-27)41(33)28-6-8-31(9-7-28)49-25-45(26-49)14-16-47(17-15-45)23-40(53)48-21-29-18-34-35(19-30(29)22-48)44(56)50(43(34)55)37-12-13-39(52)46-42(37)54/h1-11,18-20,36-37,41,51H,12-17,21-26H2,(H,46,52,54)/t36-,37?,41-/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 765.87 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 170728543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).