5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C36H36N6O7S — CID 167371049

About 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167371049) has the molecular formula C36H36N6O7S and a molecular weight of 696.79 g/mol. Its IUPAC name is 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167371049
• Molecular Formula: C36H36N6O7S
• Molecular Weight: 696.79 g/mol
• Exact Mass: 696.24
• IUPAC Name: 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnsc23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C36H36N6O7S/c1-39-16-25(31-24(33(39)45)15-37-50-31)20-12-28(48-2)26(29(13-20)49-3)17-40-10-8-36(9-11-40)18-41(19-36)21-4-5-22-23(14-21)35(47)42(34(22)46)27-6-7-30(43)38-32(27)44/h4-5,12-16,27H,6-11,17-19H2,1-3H3,(H,38,43,44)
• InChIKey: COYOLRRHBQJLEM-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 143.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.79
LogP ≤ 5	3.18
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 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167371049) is 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnsc23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is COYOLRRHBQJLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6O7S/c1-39-16-25(31-24(33(39)45)15-37-50-31)20-12-28(48-2)26(29(13-20)49-3)17-40-10-8-36(9-11-40)18-41(19-36)21-4-5-22-23(14-21)35(47)42(34(22)46)27-6-7-30(43)38-32(27)44/h4-5,12-16,27H,6-11,17-19H2,1-3H3,(H,38,43,44).

What are the key properties of 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 696.79 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-[1,2]thiazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167371049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).