4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide

C39H44F3N7O5 — CID 165099234

About 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide

4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide (PubChem CID 165099234) has the molecular formula C39H44F3N7O5 and a molecular weight of 747.82 g/mol. Its IUPAC name is 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide
• PubChem CID: 165099234
• Molecular Formula: C39H44F3N7O5
• Molecular Weight: 747.82 g/mol
• Exact Mass: 747.34
• IUPAC Name: 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide
• SMILES: CN(C(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)CC1)C1CCN(Cc2ccc(-c3cn(C)c(=O)c4[nH]ncc34)cc2OC(F)(F)F)CC1
• InChI: InChI=1S/C39H44F3N7O5/c1-46-23-32(31-21-43-45-35(31)37(46)52)27-7-8-29(33(20-27)54-39(40,41)42)22-48-15-13-30(14-16-48)47(2)38(53)49-17-11-26(12-18-49)25-5-3-24(4-6-25)19-28-9-10-34(50)44-36(28)51/h3-8,20-21,23,26,28,30H,9-19,22H2,1-2H3,(H,43,45)(H,44,50,51)
• InChIKey: YASIOLKPYUKLNX-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 132.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.82
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide?

The IUPAC name of 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide (CID 165099234) is 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide is CN(C(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)CC1)C1CCN(Cc2ccc(-c3cn(C)c(=O)c4[nH]ncc34)cc2OC(F)(F)F)CC1.

What is the InChIKey of 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide?

The InChIKey is YASIOLKPYUKLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44F3N7O5/c1-46-23-32(31-21-43-45-35(31)37(46)52)27-7-8-29(33(20-27)54-39(40,41)42)22-48-15-13-30(14-16-48)47(2)38(53)49-17-11-26(12-18-49)25-5-3-24(4-6-25)19-28-9-10-34(50)44-36(28)51/h3-8,20-21,23,26,28,30H,9-19,22H2,1-2H3,(H,43,45)(H,44,50,51).

What are the key properties of 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide?

4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide has a molecular weight of 747.82 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 165099234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).