2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile

C43H44ClN5O7 — CID 157321397

About 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile

2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile (PubChem CID 157321397) has the molecular formula C43H44ClN5O7 and a molecular weight of 778.31 g/mol. Its IUPAC name is 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile.

Molecular Properties

• Compound Name: 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile
• PubChem CID: 157321397
• Molecular Formula: C43H44ClN5O7
• Molecular Weight: 778.31 g/mol
• Exact Mass: 777.29
• IUPAC Name: 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile
• SMILES: CC1(C)C(CC(=O)c2ccc(N3CC4(CN(CCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C3)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C43H44ClN5O7/c1-41(2)35(42(3,4)40(41)56-29-10-7-26(20-45)32(44)18-29)19-34(50)25-5-8-27(9-6-25)48-23-43(24-48)21-47(22-43)15-16-55-28-11-12-30-31(17-28)39(54)49(38(30)53)33-13-14-36(51)46-37(33)52/h5-12,17-18,33,35,40H,13-16,19,21-24H2,1-4H3,(H,46,51,52)
• InChIKey: JFWPCMXZNLRLSG-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 149.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.31
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
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-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile?

The IUPAC name of 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile (CID 157321397) is 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile.

What is the SMILES notation for 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile?

The canonical SMILES for 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile is CC1(C)C(CC(=O)c2ccc(N3CC4(CN(CCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C3)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.

What is the InChIKey of 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile?

The InChIKey is JFWPCMXZNLRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44ClN5O7/c1-41(2)35(42(3,4)40(41)56-29-10-7-26(20-45)32(44)18-29)19-34(50)25-5-8-27(9-6-25)48-23-43(24-48)21-47(22-43)15-16-55-28-11-12-30-31(17-28)39(54)49(38(30)53)33-13-14-36(51)46-37(33)52/h5-12,17-18,33,35,40H,13-16,19,21-24H2,1-4H3,(H,46,51,52).

What are the key properties of 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile?

2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile has a molecular weight of 778.31 g/mol, XLogP of 5.52, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[3-[2-[4-[6-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxybenzonitrile is sourced from PubChem (CID 157321397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).