2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

C45H45F2N5O7 — CID 156554430

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 156554430) has the molecular formula C45H45F2N5O7 and a molecular weight of 805.88 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 156554430
• Molecular Formula: C45H45F2N5O7
• Molecular Weight: 805.88 g/mol
• Exact Mass: 805.33
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: COc1cccc(C2COc3cc(O)ccc3[C@H]2c2ccc(N3CCC(CN4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)c1
• InChI: InChI=1S/C45H45F2N5O7/c1-58-30-4-2-3-27(19-30)34-25-59-40-21-29(53)6-7-31(40)42(34)28-5-8-37(35(46)20-28)50-13-11-26(12-14-50)24-49-15-17-51(18-16-49)39-23-33-32(22-36(39)47)44(56)52(45(33)57)38-9-10-41(54)48-43(38)55/h2-8,19-23,26,34,38,42,53H,9-18,24-25H2,1H3,(H,48,54,55)/t34?,38?,42-/m1/s1
• InChIKey: FURAEBGEFYIRFP-YCBICILOSA-N
• XLogP: 5.43
• TPSA: 131.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.88
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (CID 156554430) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is COc1cccc(C2COc3cc(O)ccc3[C@H]2c2ccc(N3CCC(CN4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)c1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is FURAEBGEFYIRFP-YCBICILOSA-N. The full InChI is InChI=1S/C45H45F2N5O7/c1-58-30-4-2-3-27(19-30)34-25-59-40-21-29(53)6-7-31(40)42(34)28-5-8-37(35(46)20-28)50-13-11-26(12-14-50)24-49-15-17-51(18-16-49)39-23-33-32(22-36(39)47)44(56)52(45(33)57)38-9-10-41(54)48-43(38)55/h2-8,19-23,26,34,38,42,53H,9-18,24-25H2,1H3,(H,48,54,55)/t34?,38?,42-/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 805.88 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-fluoro-4-[(4R)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 156554430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).