2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C35H37FN6O5 — CID 155470069

About 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 155470069) has the molecular formula C35H37FN6O5 and a molecular weight of 640.72 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 155470069
• Molecular Formula: C35H37FN6O5
• Molecular Weight: 640.72 g/mol
• Exact Mass: 640.28
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(c7ccc(F)cc7)CCCCC6)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C35H37FN6O5/c36-24-9-7-23(8-10-24)35(15-2-1-3-16-35)34(47)40-17-13-25(14-18-40)41-21-22(20-38-41)19-37-27-6-4-5-26-30(27)33(46)42(32(26)45)28-11-12-29(43)39-31(28)44/h4-10,20-21,25,28,37H,1-3,11-19H2,(H,39,43,44)
• InChIKey: GDXPDOHZLSKDCK-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 133.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.72
LogP ≤ 5	4.10
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 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 155470069) is 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(c7ccc(F)cc7)CCCCC6)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is GDXPDOHZLSKDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN6O5/c36-24-9-7-23(8-10-24)35(15-2-1-3-16-35)34(47)40-17-13-25(14-18-40)41-21-22(20-38-41)19-37-27-6-4-5-26-30(27)33(46)42(32(26)45)28-11-12-29(43)39-31(28)44/h4-10,20-21,25,28,37H,1-3,11-19H2,(H,39,43,44).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 640.72 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(4-fluorophenyl)cyclohexanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 155470069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).