3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide

C43H46N6O9 — CID 175849467

About 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide

3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide (PubChem CID 175849467) has the molecular formula C43H46N6O9 and a molecular weight of 790.87 g/mol. Its IUPAC name is 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide.

Molecular Properties

• Compound Name: 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide
• PubChem CID: 175849467
• Molecular Formula: C43H46N6O9
• Molecular Weight: 790.87 g/mol
• Exact Mass: 790.33
• IUPAC Name: 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC1C2CC1(C(CCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CC(N)=O)C2
• InChI: InChI=1S/C43H46N6O9/c1-47(20-30-34(56-3)14-23(15-35(30)57-4)29-21-48(2)40(53)28-19-45-12-10-26(28)29)22-31-24-17-43(31,18-24)25(16-36(44)50)11-13-58-33-7-5-6-27-38(33)42(55)49(41(27)54)32-8-9-37(51)46-39(32)52/h5-7,10,12,14-15,19,21,24-25,31-32H,8-9,11,13,16-18,20,22H2,1-4H3,(H2,44,50)(H,46,51,52)
• InChIKey: FOKNNEYKGJKTEA-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 192.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.87
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
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 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide?

The IUPAC name of 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide (CID 175849467) is 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide.

What is the SMILES notation for 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide?

The canonical SMILES for 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CC1C2CC1(C(CCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CC(N)=O)C2.

What is the InChIKey of 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide?

The InChIKey is FOKNNEYKGJKTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N6O9/c1-47(20-30-34(56-3)14-23(15-35(30)57-4)29-21-48(2)40(53)28-19-45-12-10-26(28)29)22-31-24-17-43(31,18-24)25(16-36(44)50)11-13-58-33-7-5-6-27-38(33)42(55)49(41(27)54)32-8-9-37(51)46-39(32)52/h5-7,10,12,14-15,19,21,24-25,31-32H,8-9,11,13,16-18,20,22H2,1-4H3,(H2,44,50)(H,46,51,52).

What are the key properties of 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide?

3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide has a molecular weight of 790.87 g/mol, XLogP of 3.44, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]methyl]-1-bicyclo[1.1.1]pentanyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanamide is sourced from PubChem (CID 175849467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).