MACMVYAZBJFSDS-UHFFFAOYSA-N

C₂₅H₂₀F₃N₃O₅ — CID 155316184

About MACMVYAZBJFSDS-UHFFFAOYSA-N

MACMVYAZBJFSDS-UHFFFAOYSA-N (PubChem CID 155316184) has the molecular formula C₂₅H₂₀F₃N₃O₅ and a molecular weight of 499.45 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

• Compound Name: MACMVYAZBJFSDS-UHFFFAOYSA-N
• PubChem CID: 155316184
• Molecular Formula: C₂₅H₂₀F₃N₃O₅
• Molecular Weight: 499.45 g/mol
• Exact Mass: 499.14
• IUPAC Name: N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
• SMILES: O=C1CCC(N2Cc3c(NC(=O)C(=O)c4ccc(C5(C(F)(F)F)CC5)cc4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H20F3N3O5/c26-25(27,28)24(10-11-24)14-6-4-13(5-7-14)20(33)22(35)29-17-3-1-2-15-16(17)12-31(23(15)36)18-8-9-19(32)30-21(18)34/h1-7,18H,8-12H2,(H,29,35)(H,30,32,34)
• InChIKey: MACMVYAZBJFSDS-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 112.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.45
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of MACMVYAZBJFSDS-UHFFFAOYSA-N?

The IUPAC name of MACMVYAZBJFSDS-UHFFFAOYSA-N (CID 155316184) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-oxo-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

What is the SMILES notation for MACMVYAZBJFSDS-UHFFFAOYSA-N?

The canonical SMILES for MACMVYAZBJFSDS-UHFFFAOYSA-N is O=C1CCC(N2Cc3c(NC(=O)C(=O)c4ccc(C5(C(F)(F)F)CC5)cc4)cccc3C2=O)C(=O)N1.

What is the InChIKey of MACMVYAZBJFSDS-UHFFFAOYSA-N?

The InChIKey is MACMVYAZBJFSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O5/c26-25(27,28)24(10-11-24)14-6-4-13(5-7-14)20(33)22(35)29-17-3-1-2-15-16(17)12-31(23(15)36)18-8-9-19(32)30-21(18)34/h1-7,18H,8-12H2,(H,29,35)(H,30,32,34).

What are the key properties of MACMVYAZBJFSDS-UHFFFAOYSA-N?

MACMVYAZBJFSDS-UHFFFAOYSA-N has a molecular weight of 499.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for MACMVYAZBJFSDS-UHFFFAOYSA-N is sourced from PubChem (CID 155316184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155316184 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.