2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C47H42FN5O6 — CID 164923971

About 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164923971) has the molecular formula C47H42FN5O6 and a molecular weight of 791.88 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-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-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 164923971
• Molecular Formula: C47H42FN5O6
• Molecular Weight: 791.88 g/mol
• Exact Mass: 791.31
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-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)CCN(c2ccc(-c5c(-c6ccc(F)cc6)ccc6cc(O)ccc56)cc2)C3)C4)C(=O)N1
• InChI: InChI=1S/C47H42FN5O6/c48-33-6-1-28(2-7-33)36-11-5-30-21-35(54)10-12-37(30)43(36)29-3-8-34(9-4-29)51-20-17-47(27-51)15-18-50(19-16-47)26-42(56)52-24-31-22-38-39(23-32(31)25-52)46(59)53(45(38)58)40-13-14-41(55)49-44(40)57/h1-12,21-23,40,54H,13-20,24-27H2,(H,49,55,57)
• InChIKey: HCBQPEOSSXMSFF-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 130.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.88
LogP ≤ 5	6.25
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 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-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-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164923971) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-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-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-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-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-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)CCN(c2ccc(-c5c(-c6ccc(F)cc6)ccc6cc(O)ccc56)cc2)C3)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is HCBQPEOSSXMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42FN5O6/c48-33-6-1-28(2-7-33)36-11-5-30-21-35(54)10-12-37(30)43(36)29-3-8-34(9-4-29)51-20-17-47(27-51)15-18-50(19-16-47)26-42(56)52-24-31-22-38-39(23-32(31)25-52)46(59)53(45(38)58)40-13-14-41(55)49-44(40)57/h1-12,21-23,40,54H,13-20,24-27H2,(H,49,55,57).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 791.88 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[2-(4-fluorophenyl)-6-hydroxynaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164923971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).