3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C38H42F2N6O6 — CID 168931859

About 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 168931859) has the molecular formula C38H42F2N6O6 and a molecular weight of 716.79 g/mol. Its IUPAC name is 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 168931859
• Molecular Formula: C38H42F2N6O6
• Molecular Weight: 716.79 g/mol
• Exact Mass: 716.31
• IUPAC Name: 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2CCC3)cc(OC)c1CN1CCC2(CN(c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)C2)C(F)(F)C1
• InChI: InChI=1S/C38H42F2N6O6/c1-42-17-25(23-7-5-8-24(23)35(42)49)22-15-30(51-3)26(31(16-22)52-4)18-44-14-13-37(38(39,40)21-44)19-45(20-37)27-9-6-10-28-33(27)43(2)36(50)46(28)29-11-12-32(47)41-34(29)48/h6,9-10,15-17,29H,5,7-8,11-14,18-21H2,1-4H3,(H,41,47,48)
• InChIKey: OUJFXVQNERZLGJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 120.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.79
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 168931859) is 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3c2CCC3)cc(OC)c1CN1CCC2(CN(c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)C2)C(F)(F)C1.

What is the InChIKey of 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is OUJFXVQNERZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42F2N6O6/c1-42-17-25(23-7-5-8-24(23)35(42)49)22-15-30(51-3)26(31(16-22)52-4)18-44-14-13-37(38(39,40)21-44)19-45(20-37)27-9-6-10-28-33(27)43(2)36(50)46(28)29-11-12-32(47)41-34(29)48/h6,9-10,15-17,29H,5,7-8,11-14,18-21H2,1-4H3,(H,41,47,48).

What are the key properties of 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 716.79 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)phenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 168931859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).