chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C48H48Cl2N8O8 — CID 171554425

About chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171554425) has the molecular formula C48H48Cl2N8O8 and a molecular weight of 935.87 g/mol. Its IUPAC name is chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171554425
• Molecular Formula: C48H48Cl2N8O8
• Molecular Weight: 935.87 g/mol
• Exact Mass: 934.30
• IUPAC Name: chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1ncc(C(=O)N2CCC3(CC2)CC(Oc2cccc4c2CN(C2CCC(=O)NC2=O)C4=O)C3)cc1-c1nc2c(n1C(C)C)CN(c1cc(Cl)cn(C)c1=O)C2=O.Clc1ccccc1
• InChI: InChI=1S/C42H43ClN8O8.C6H5Cl/c1-22(2)51-31-21-50(30-15-24(43)19-47(3)40(30)56)41(57)34(31)46-35(51)27-14-23(18-44-37(27)58-4)38(54)48-12-10-42(11-13-48)16-25(17-42)59-32-7-5-6-26-28(32)20-49(39(26)55)29-8-9-33(52)45-36(29)53;7-6-4-2-1-3-5-6/h5-7,14-15,18-19,22,25,29H,8-13,16-17,20-21H2,1-4H3,(H,45,52,53);1-5H
• InChIKey: VMSHAWZVNFOZDL-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 178.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.87
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171554425) is chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ncc(C(=O)N2CCC3(CC2)CC(Oc2cccc4c2CN(C2CCC(=O)NC2=O)C4=O)C3)cc1-c1nc2c(n1C(C)C)CN(c1cc(Cl)cn(C)c1=O)C2=O.Clc1ccccc1.

What is the InChIKey of chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is VMSHAWZVNFOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43ClN8O8.C6H5Cl/c1-22(2)51-31-21-50(30-15-24(43)19-47(3)40(30)56)41(57)34(31)46-35(51)27-14-23(18-44-37(27)58-4)38(54)48-12-10-42(11-13-48)16-25(17-42)59-32-7-5-6-26-28(32)20-49(39(26)55)29-8-9-33(52)45-36(29)53;7-6-4-2-1-3-5-6/h5-7,14-15,18-19,22,25,29H,8-13,16-17,20-21H2,1-4H3,(H,45,52,53);1-5H.

What are the key properties of chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 935.87 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for chlorobenzene;3-[7-[[7-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171554425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).