6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione

C45H49F2N5O5 — CID 156802507

About 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione

6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione (PubChem CID 156802507) has the molecular formula C45H49F2N5O5 and a molecular weight of 777.91 g/mol. Its IUPAC name is 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione.

Molecular Properties

• Compound Name: 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione
• PubChem CID: 156802507
• Molecular Formula: C45H49F2N5O5
• Molecular Weight: 777.91 g/mol
• Exact Mass: 777.37
• IUPAC Name: 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione
• SMILES: CN1Cc2cc(N3CCN(CC4CCN(c5ccc(C6c7ccc(O)cc7OCC6c6ccccc6)cc5F)CC4)CC3)c(F)cc2C1=O.O=C1CCCC(=O)N1
• InChI: InChI=1S/C40H42F2N4O3.C5H7NO2/c1-43-24-29-20-37(35(42)22-32(29)40(43)48)46-17-15-44(16-18-46)23-26-11-13-45(14-12-26)36-10-7-28(19-34(36)41)39-31-9-8-30(47)21-38(31)49-25-33(39)27-5-3-2-4-6-27;7-4-2-1-3-5(8)6-4/h2-10,19-22,26,33,39,47H,11-18,23-25H2,1H3;1-3H2,(H,6,7,8)
• InChIKey: OKINXTDVZYVYCE-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 105.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.91
LogP ≤ 5	6.42
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 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione?

The IUPAC name of 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione (CID 156802507) is 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione.

What is the SMILES notation for 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione?

The canonical SMILES for 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione is CN1Cc2cc(N3CCN(CC4CCN(c5ccc(C6c7ccc(O)cc7OCC6c6ccccc6)cc5F)CC4)CC3)c(F)cc2C1=O.O=C1CCCC(=O)N1.

What is the InChIKey of 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione?

The InChIKey is OKINXTDVZYVYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42F2N4O3.C5H7NO2/c1-43-24-29-20-37(35(42)22-32(29)40(43)48)46-17-15-44(16-18-46)23-26-11-13-45(14-12-26)36-10-7-28(19-34(36)41)39-31-9-8-30(47)21-38(31)49-25-33(39)27-5-3-2-4-6-27;7-4-2-1-3-5(8)6-4/h2-10,19-22,26,33,39,47H,11-18,23-25H2,1H3;1-3H2,(H,6,7,8).

What are the key properties of 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione?

6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione has a molecular weight of 777.91 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methyl-3H-isoindol-1-one;piperidine-2,6-dione is sourced from PubChem (CID 156802507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).