[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate

C39H46N6O7 — CID 165079439

About [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate

[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate (PubChem CID 165079439) has the molecular formula C39H46N6O7 and a molecular weight of 710.83 g/mol. Its IUPAC name is [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
• PubChem CID: 165079439
• Molecular Formula: C39H46N6O7
• Molecular Weight: 710.83 g/mol
• Exact Mass: 710.34
• IUPAC Name: [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CN1CCC(OC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1
• InChI: InChI=1S/C39H46N6O7/c1-43-22-31(29-20-40-21-30(29)38(43)48)26-18-34(50-2)32(35(19-26)51-3)23-44-14-12-28(13-15-44)52-39(49)45-16-10-25(11-17-45)24-4-6-27(7-5-24)41-33-8-9-36(46)42-37(33)47/h4-7,18-20,22,25,28,33,41H,8-17,21,23H2,1-3H3,(H,42,46,47)
• InChIKey: BDKBISUMLCYEIR-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 143.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.83
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
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 [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate?

The IUPAC name of [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate (CID 165079439) is [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate.

What is the SMILES notation for [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate?

The canonical SMILES for [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate is COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CN1CCC(OC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.

What is the InChIKey of [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate?

The InChIKey is BDKBISUMLCYEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N6O7/c1-43-22-31(29-20-40-21-30(29)38(43)48)26-18-34(50-2)32(35(19-26)51-3)23-44-14-12-28(13-15-44)52-39(49)45-16-10-25(11-17-45)24-4-6-27(7-5-24)41-33-8-9-36(46)42-37(33)47/h4-7,18-20,22,25,28,33,41H,8-17,21,23H2,1-3H3,(H,42,46,47).

What are the key properties of [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate?

[1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate has a molecular weight of 710.83 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-4-yl] 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 165079439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).