1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid

C25H24F3N9O6 — CID 167773897

About 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid

1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167773897) has the molecular formula C25H24F3N9O6 and a molecular weight of 603.52 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 167773897
• Molecular Formula: C25H24F3N9O6
• Molecular Weight: 603.52 g/mol
• Exact Mass: 603.18
• IUPAC Name: 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CN1CCn2nc(NC(=O)c3cn(-c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5)nn3)cc2C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H23N9O4.C2HF3O2/c1-29-6-7-31-15(11-29)9-19(27-31)24-21(34)17-12-32(28-26-17)14-3-2-13-10-30(23(36)16(13)8-14)18-4-5-20(33)25-22(18)35;3-2(4,5)1(6)7/h2-3,8-9,12,18H,4-7,10-11H2,1H3,(H,24,27,34)(H,25,33,35);(H,6,7)
• InChIKey: SAKBVTZZBASLGV-UHFFFAOYSA-N
• XLogP: 0.56
• TPSA: 184.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.52
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	3
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-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 167773897) is 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid is CN1CCn2nc(NC(=O)c3cn(-c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5)nn3)cc2C1.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is SAKBVTZZBASLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O4.C2HF3O2/c1-29-6-7-31-15(11-29)9-19(27-31)24-21(34)17-12-32(28-26-17)14-3-2-13-10-30(23(36)16(13)8-14)18-4-5-20(33)25-22(18)35;3-2(4,5)1(6)7/h2-3,8-9,12,18H,4-7,10-11H2,1H3,(H,24,27,34)(H,25,33,35);(H,6,7).

What are the key properties of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid?

1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 603.52 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)triazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167773897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).