2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide

C33H25F3N6O7 — CID 168863631

About 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 168863631) has the molecular formula C33H25F3N6O7 and a molecular weight of 674.59 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
• PubChem CID: 168863631
• Molecular Formula: C33H25F3N6O7
• Molecular Weight: 674.59 g/mol
• Exact Mass: 674.17
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
• SMILES: Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1O
• InChI: InChI=1S/C33H25F3N6O7/c1-41-24(14-26(40-41)33(34,35)36)21-9-7-19(13-25(21)43)38-29(46)17-4-2-16(3-5-17)15-37-28(45)18-6-8-20-22(12-18)32(49)42(31(20)48)23-10-11-27(44)39-30(23)47/h2-9,12-14,23,43H,10-11,15H2,1H3,(H,37,45)(H,38,46)(H,39,44,47)
• InChIKey: WYUGRWIPWXAFAX-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 179.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	674.59
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (CID 168863631) is 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(CNC(=O)c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1O.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The InChIKey is WYUGRWIPWXAFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3N6O7/c1-41-24(14-26(40-41)33(34,35)36)21-9-7-19(13-25(21)43)38-29(46)17-4-2-16(3-5-17)15-37-28(45)18-6-8-20-22(12-18)32(49)42(31(20)48)23-10-11-27(44)39-30(23)47/h2-9,12-14,23,43H,10-11,15H2,1H3,(H,37,45)(H,38,46)(H,39,44,47).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 674.59 g/mol, XLogP of 3.39, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]carbamoyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 168863631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).