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

C22H20F4N4O2 — CID 153311242

IUPAC[5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cncc(-c3ccc(F)cc3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C22H20F4N4O2/c1-13-11-29(12-18-10-28-20(30(13)18)21(2,32)22(24,25)26)19(31)16-7-15(8-27-9-16)14-3-5-17(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
InChIKeyWVXGQODAPLIYFL-YEJXKQKISA-N
MW448.42 g/mol
LogP4.07
Rot. Bonds3

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

[5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 153311242) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID153311242
Molecular FormulaC22H20F4N4O2
Molecular Weight448.42 g/mol
Exact Mass448.15
IUPAC Name[5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cncc(-c3ccc(F)cc3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C22H20F4N4O2/c1-13-11-29(12-18-10-28-20(30(13)18)21(2,32)22(24,25)26)19(31)16-7-15(8-27-9-16)14-3-5-17(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1
InChIKeyWVXGQODAPLIYFL-YEJXKQKISA-N
XLogP4.07
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 153311242) is [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-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 [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-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)c2cncc(-c3ccc(F)cc3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is WVXGQODAPLIYFL-YEJXKQKISA-N. The full InChI is InChI=1S/C22H20F4N4O2/c1-13-11-29(12-18-10-28-20(30(13)18)21(2,32)22(24,25)26)19(31)16-7-15(8-27-9-16)14-3-5-17(23)6-4-14/h3-10,13,32H,11-12H2,1-2H3/t13-,21+/m0/s1.
What are the key properties of [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-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 [5-(4-fluorophenyl)-3-pyridinyl]-[(5S)-5-methyl-3-[(2R)-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 153311242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).