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

C22H20F6N6O — CID 44516186

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

(3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (PubChem CID 44516186) has the molecular formula C22H20F6N6O and a molecular weight of 498.43 g/mol. Its IUPAC name is (3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

Molecular Properties

• Compound Name: (3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• PubChem CID: 44516186
• Molecular Formula: C22H20F6N6O
• Molecular Weight: 498.43 g/mol
• Exact Mass: 498.16
• IUPAC Name: (3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• SMILES: Nc1ccc(-c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)cn1
• InChI: InChI=1S/C22H20F6N6O/c23-14-8-16(25)15(24)6-12(14)5-13(29)7-19(35)33-3-4-34-17(10-33)20(32-21(34)22(26,27)28)11-1-2-18(30)31-9-11/h1-2,6,8-9,13H,3-5,7,10,29H2,(H2,30,31)/t13-/m1/s1
• InChIKey: DBLCWSSUPHFBNG-CYBMUJFWSA-N
• XLogP: 3.27
• TPSA: 103.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.43
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of (3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (CID 44516186) is (3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

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

The canonical SMILES for (3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is Nc1ccc(-c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)cn1.

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

The InChIKey is DBLCWSSUPHFBNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H20F6N6O/c23-14-8-16(25)15(24)6-12(14)5-13(29)7-19(35)33-3-4-34-17(10-33)20(32-21(34)22(26,27)28)11-1-2-18(30)31-9-11/h1-2,6,8-9,13H,3-5,7,10,29H2,(H2,30,31)/t13-/m1/s1.

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

(3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one has a molecular weight of 498.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-[1-(6-amino-3-pyridinyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is sourced from PubChem (CID 44516186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).