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

C19H18F6N4O — CID 10252219

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

(3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (PubChem CID 10252219) has the molecular formula C19H18F6N4O and a molecular weight of 432.37 g/mol. Its IUPAC name is (3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

Molecular Properties

• Compound Name: (3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• PubChem CID: 10252219
• Molecular Formula: C19H18F6N4O
• Molecular Weight: 432.37 g/mol
• Exact Mass: 432.14
• IUPAC Name: (3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• SMILES: C=Cc1c(C(F)(F)F)nc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2
• InChI: InChI=1S/C19H18F6N4O/c1-2-15-18(19(23,24)25)27-16-9-28(3-4-29(15)16)17(30)7-11(26)5-10-6-13(21)14(22)8-12(10)20/h2,6,8,11H,1,3-5,7,9,26H2/t11-/m1/s1
• InChIKey: VAEQNAFUEBPHNS-LLVKDONJSA-N
• XLogP: 3.26
• TPSA: 64.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.37
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (CID 10252219) is (3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

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

The canonical SMILES for (3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is C=Cc1c(C(F)(F)F)nc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2.

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

The InChIKey is VAEQNAFUEBPHNS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18F6N4O/c1-2-15-18(19(23,24)25)27-16-9-28(3-4-29(15)16)17(30)7-11(26)5-10-6-13(21)14(22)8-12(10)20/h2,6,8,11H,1,3-5,7,9,26H2/t11-/m1/s1.

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

(3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one has a molecular weight of 432.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is sourced from PubChem (CID 10252219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).