[4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C22H20F4N4O2 — CID 155196869

About [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

[4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 155196869) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 155196869
• Molecular Formula: C22H20F4N4O2
• Molecular Weight: 448.42 g/mol
• Exact Mass: 448.15
• IUPAC Name: [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
• SMILES: C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)ccn2)Cc2cnc(C(C)(O)C(F)(F)F)n21
• InChI: InChI=1S/C22H20F4N4O2/c1-13-11-29(12-17-10-28-20(30(13)17)21(2,32)22(24,25)26)19(31)18-9-15(7-8-27-18)14-3-5-16(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21?/m0/s1
• InChIKey: LVLRQELLYUHNDW-JRTLGTJJSA-N
• XLogP: 4.07
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.42
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?

The IUPAC name of [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 155196869) is [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

What is the SMILES notation for [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?

The canonical SMILES for [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)ccn2)Cc2cnc(C(C)(O)C(F)(F)F)n21.

What is the InChIKey of [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?

The InChIKey is LVLRQELLYUHNDW-JRTLGTJJSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c1-13-11-29(12-17-10-28-20(30(13)17)21(2,32)22(24,25)26)19(31)18-9-15(7-8-27-18)14-3-5-16(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21?/m0/s1.

What are the key properties of [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?

[4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 448.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 155196869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).