N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide

C27H24F3N5O2 — CID 156503074

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide (PubChem CID 156503074) has the molecular formula C27H24F3N5O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide
• PubChem CID: 156503074
• Molecular Formula: C27H24F3N5O2
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide
• SMILES: O=C(NCCCN1CCCC1=O)c1ccc(-c2ncc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1
• InChI: InChI=1S/C27H24F3N5O2/c28-27(29,30)21-5-1-4-20(14-21)23-17-35-22(15-32-23)16-33-25(35)18-7-9-19(10-8-18)26(37)31-11-3-13-34-12-2-6-24(34)36/h1,4-5,7-10,14-17H,2-3,6,11-13H2,(H,31,37)
• InChIKey: QMLCTEIJXCARQV-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide (CID 156503074) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide is O=C(NCCCN1CCCC1=O)c1ccc(-c2ncc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc1.

What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide?

The InChIKey is QMLCTEIJXCARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2/c28-27(29,30)21-5-1-4-20(14-21)23-17-35-22(15-32-23)16-33-25(35)18-7-9-19(10-8-18)26(37)31-11-3-13-34-12-2-6-24(34)36/h1,4-5,7-10,14-17H,2-3,6,11-13H2,(H,31,37).

What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide?

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide has a molecular weight of 507.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 156503074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).