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

C22H19F5N4O2 — CID 155196838

About [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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 155196838) has the molecular formula C22H19F5N4O2 and a molecular weight of 466.41 g/mol. Its IUPAC name is [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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: 155196838
• Molecular Formula: C22H19F5N4O2
• Molecular Weight: 466.41 g/mol
• Exact Mass: 466.14
• IUPAC Name: [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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)c2ccc(F)c(-c3ccncc3F)c2)Cc2cnc(C(C)(O)C(F)(F)F)n21
• InChI: InChI=1S/C22H19F5N4O2/c1-12-10-30(11-14-8-29-20(31(12)14)21(2,33)22(25,26)27)19(32)13-3-4-17(23)16(7-13)15-5-6-28-9-18(15)24/h3-9,12,33H,10-11H2,1-2H3/t12-,21?/m0/s1
• InChIKey: KLDQUPYWEFWFQK-SXWUCCAISA-N
• XLogP: 4.21
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.41
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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 155196838) is [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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)c2ccc(F)c(-c3ccncc3F)c2)Cc2cnc(C(C)(O)C(F)(F)F)n21.

What is the InChIKey of [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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 KLDQUPYWEFWFQK-SXWUCCAISA-N. The full InChI is InChI=1S/C22H19F5N4O2/c1-12-10-30(11-14-8-29-20(31(12)14)21(2,33)22(25,26)27)19(32)13-3-4-17(23)16(7-13)15-5-6-28-9-18(15)24/h3-9,12,33H,10-11H2,1-2H3/t12-,21?/m0/s1.

What are the key properties of [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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 466.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(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 155196838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).