3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C63H57FN8O8 — CID 134240461

About 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 134240461) has the molecular formula C63H57FN8O8 and a molecular weight of 1073.19 g/mol. Its IUPAC name is 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 134240461
• Molecular Formula: C63H57FN8O8
• Molecular Weight: 1073.19 g/mol
• Exact Mass: 1072.43
• IUPAC Name: 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(OCc4ccc(CN5CCn6c(-c7ccc(-c8cc(CN9CCc%10cc(F)ccc%10C9)ccc8COc8cccc9c8CN(C8CCC(=O)NC8=O)C9=O)cc7)cnc6C5)cc4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C63H57FN8O8/c64-46-18-17-44-32-68(24-23-43(44)28-46)31-40-11-12-45(37-80-56-6-2-4-48-51(56)34-72(63(48)78)53-20-22-59(74)67-61(53)76)49(27-40)41-13-15-42(16-14-41)54-29-65-57-35-69(25-26-70(54)57)30-38-7-9-39(10-8-38)36-79-55-5-1-3-47-50(55)33-71(62(47)77)52-19-21-58(73)66-60(52)75/h1-18,27-29,52-53H,19-26,30-37H2,(H,66,73,75)(H,67,74,76)
• InChIKey: WOGBLYLIBRSKAJ-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 175.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.19
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 134240461) is 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4ccc(CN5CCn6c(-c7ccc(-c8cc(CN9CCc%10cc(F)ccc%10C9)ccc8COc8cccc9c8CN(C8CCC(=O)NC8=O)C9=O)cc7)cnc6C5)cc4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is WOGBLYLIBRSKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H57FN8O8/c64-46-18-17-44-32-68(24-23-43(44)28-46)31-40-11-12-45(37-80-56-6-2-4-48-51(56)34-72(63(48)78)53-20-22-59(74)67-61(53)76)49(27-40)41-13-15-42(16-14-41)54-29-65-57-35-69(25-26-70(54)57)30-38-7-9-39(10-8-38)36-79-55-5-1-3-47-50(55)33-71(62(47)77)52-19-21-58(73)66-60(52)75/h1-18,27-29,52-53H,19-26,30-37H2,(H,66,73,75)(H,67,74,76).

What are the key properties of 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 1073.19 g/mol, XLogP of 7.61, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[4-[[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-5-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 134240461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).