(3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

C32H32FN5O5 — CID 169201475

About (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

(3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201475) has the molecular formula C32H32FN5O5 and a molecular weight of 585.64 g/mol. Its IUPAC name is (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• PubChem CID: 169201475
• Molecular Formula: C32H32FN5O5
• Molecular Weight: 585.64 g/mol
• Exact Mass: 585.24
• IUPAC Name: (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• SMILES: O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cc(F)cc(-c5cnn(C6COC6)c5)c4)CC3)C2=O)C(=O)N1
• InChI: InChI=1S/C32H32FN5O5/c33-22-10-19(9-20(11-22)21-12-34-38(14-21)23-16-42-17-23)13-36-7-5-32(6-8-36)18-43-29-25-15-37(27-3-4-28(39)35-30(27)40)31(41)24(25)1-2-26(29)32/h1-2,9-12,14,23,27H,3-8,13,15-18H2,(H,35,39,40)/t27-/m0/s1
• InChIKey: AEZXNFGOGSHUKC-MHZLTWQESA-N
• XLogP: 2.95
• TPSA: 106.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.64
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
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 (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The IUPAC name of (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 169201475) is (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

What is the SMILES notation for (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The canonical SMILES for (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CC[C@H](N2Cc3c(ccc4c3OCC43CCN(Cc4cc(F)cc(-c5cnn(C6COC6)c5)c4)CC3)C2=O)C(=O)N1.

What is the InChIKey of (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The InChIKey is AEZXNFGOGSHUKC-MHZLTWQESA-N. The full InChI is InChI=1S/C32H32FN5O5/c33-22-10-19(9-20(11-22)21-12-34-38(14-21)23-16-42-17-23)13-36-7-5-32(6-8-36)18-43-29-25-15-37(27-3-4-28(39)35-30(27)40)31(41)24(25)1-2-26(29)32/h1-2,9-12,14,23,27H,3-8,13,15-18H2,(H,35,39,40)/t27-/m0/s1.

What are the key properties of (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

(3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 585.64 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[1'-[[3-fluoro-5-[1-(oxetan-3-yl)pyrazol-4-yl]phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).