4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C59H52N8O9 — CID 160563246

About 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 160563246) has the molecular formula C59H52N8O9 and a molecular weight of 1017.11 g/mol. Its IUPAC name is 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 160563246
• Molecular Formula: C59H52N8O9
• Molecular Weight: 1017.11 g/mol
• Exact Mass: 1016.39
• IUPAC Name: 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H26N4O4.C29H26N4O5/c35-28-14-13-26(29(36)32-28)34-16-24-23(30(34)37)7-4-8-27(24)38-18-21-11-9-20(10-12-21)15-33-17-25(31-19-33)22-5-2-1-3-6-22;34-25-11-10-23(27(35)31-25)33-28(36)21-4-1-5-24(26(21)29(33)37)38-17-19-8-6-18(7-9-19)15-32-14-12-22-20(16-32)3-2-13-30-22/h1-12,17,19,26H,13-16,18H2,(H,32,35,36);1-9,13,23H,10-12,14-17H2,(H,31,34,35)
• InChIKey: QZPBYRPKEXQBCY-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 202.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.11
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 160563246) is 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)N1.O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is QZPBYRPKEXQBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4.C29H26N4O5/c35-28-14-13-26(29(36)32-28)34-16-24-23(30(34)37)7-4-8-27(24)38-18-21-11-9-20(10-12-21)15-33-17-25(31-19-33)22-5-2-1-3-6-22;34-25-11-10-23(27(35)31-25)33-28(36)21-4-1-5-24(26(21)29(33)37)38-17-19-8-6-18(7-9-19)15-32-14-12-22-20(16-32)3-2-13-30-22/h1-12,17,19,26H,13-16,18H2,(H,32,35,36);1-9,13,23H,10-12,14-17H2,(H,31,34,35).

What are the key properties of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 1017.11 g/mol, XLogP of 6.56, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 160563246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).