2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide

C30H25N7O5 — CID 170548086

About 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide

2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide (PubChem CID 170548086) has the molecular formula C30H25N7O5 and a molecular weight of 563.57 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide
• PubChem CID: 170548086
• Molecular Formula: C30H25N7O5
• Molecular Weight: 563.57 g/mol
• Exact Mass: 563.19
• IUPAC Name: 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide
• SMILES: O=C(Cn1cc(-c2cnc3ccccc3n2)c(C2CC2)n1)NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C30H25N7O5/c38-25-10-9-24(28(40)34-25)37-29(41)18-8-5-16(11-19(18)30(37)42)12-32-26(39)15-36-14-20(27(35-36)17-6-7-17)23-13-31-21-3-1-2-4-22(21)33-23/h1-5,8,11,13-14,17,24H,6-7,9-10,12,15H2,(H,32,39)(H,34,38,40)
• InChIKey: SRHYAZZOUJNLES-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 156.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.57
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
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-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide?

The IUPAC name of 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide (CID 170548086) is 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide.

What is the SMILES notation for 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide?

The canonical SMILES for 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide is O=C(Cn1cc(-c2cnc3ccccc3n2)c(C2CC2)n1)NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide?

The InChIKey is SRHYAZZOUJNLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O5/c38-25-10-9-24(28(40)34-25)37-29(41)18-8-5-16(11-19(18)30(37)42)12-32-26(39)15-36-14-20(27(35-36)17-6-7-17)23-13-31-21-3-1-2-4-22(21)33-23/h1-5,8,11,13-14,17,24H,6-7,9-10,12,15H2,(H,32,39)(H,34,38,40).

What are the key properties of 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide?

2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide has a molecular weight of 563.57 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide is sourced from PubChem (CID 170548086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).