N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide

C24H21F6N5O2 — CID 44513417

About N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide

N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide (PubChem CID 44513417) has the molecular formula C24H21F6N5O2 and a molecular weight of 525.45 g/mol. Its IUPAC name is N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide
• PubChem CID: 44513417
• Molecular Formula: C24H21F6N5O2
• Molecular Weight: 525.45 g/mol
• Exact Mass: 525.16
• IUPAC Name: N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide
• SMILES: N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(NC(=O)c3ccccc3)c2C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C24H21F6N5O2/c25-16-11-18(27)17(26)9-14(16)8-15(31)10-20(36)34-6-7-35-19(12-34)21(33-23(35)24(28,29)30)32-22(37)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,31H2,(H,32,37)/t15-/m1/s1
• InChIKey: GKDKZAVCQHADAG-OAHLLOKOSA-N
• XLogP: 3.87
• TPSA: 93.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.45
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide?

The IUPAC name of N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide (CID 44513417) is N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide.

What is the SMILES notation for N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide?

The canonical SMILES for N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide is N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(NC(=O)c3ccccc3)c2C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide?

The InChIKey is GKDKZAVCQHADAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21F6N5O2/c25-16-11-18(27)17(26)9-14(16)8-15(31)10-20(36)34-6-7-35-19(12-34)21(33-23(35)24(28,29)30)32-22(37)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,31H2,(H,32,37)/t15-/m1/s1.

What are the key properties of N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide?

N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide has a molecular weight of 525.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]benzamide is sourced from PubChem (CID 44513417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).