5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

C41H43F3N8O5 — CID 162438639

About 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 162438639) has the molecular formula C41H43F3N8O5 and a molecular weight of 784.84 g/mol. Its IUPAC name is 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
• PubChem CID: 162438639
• Molecular Formula: C41H43F3N8O5
• Molecular Weight: 784.84 g/mol
• Exact Mass: 784.33
• IUPAC Name: 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
• SMILES: N#Cc1ncc(N2CCC(Oc3ccc(N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C41H43F3N8O5/c42-41(43,44)34-22-29(24-46-35(34)23-45)50-15-11-31(12-16-50)57-30-4-1-27(2-5-30)51-19-17-48(18-20-51)25-26-9-13-49(14-10-26)28-3-6-32-33(21-28)40(56)52(39(32)55)36-7-8-37(53)47-38(36)54/h1-6,21-22,24,26,31,36H,7-20,25H2,(H,47,53,54)
• InChIKey: AZIGDXMGZOXCGY-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 142.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.84
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?

The IUPAC name of 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 162438639) is 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

What is the SMILES notation for 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?

The canonical SMILES for 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(N2CCC(Oc3ccc(N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)cc1C(F)(F)F.

What is the InChIKey of 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?

The InChIKey is AZIGDXMGZOXCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43F3N8O5/c42-41(43,44)34-22-29(24-46-35(34)23-45)50-15-11-31(12-16-50)57-30-4-1-27(2-5-30)51-19-17-48(18-20-51)25-26-9-13-49(14-10-26)28-3-6-32-33(21-28)40(56)52(39(32)55)36-7-8-37(53)47-38(36)54/h1-6,21-22,24,26,31,36H,7-20,25H2,(H,47,53,54).

What are the key properties of 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?

5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 784.84 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenoxy]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 162438639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).