[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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

C21H21F4N5O2 — CID 146800392

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C21H21F4N5O2/c1-12-10-29(11-15-9-26-19(30(12)15)20(2,32)21(23,24)25)18(31)17-8-16(27-28(17)3)13-4-6-14(22)7-5-13/h4-9,12,32H,10-11H2,1-3H3/t12-,20+/m0/s1
InChIKeyRXTXTYQPYKEVKE-FKIZINRSSA-N
MW451.42 g/mol
LogP3.41
Rot. Bonds3

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 146800392) has the molecular formula C21H21F4N5O2 and a molecular weight of 451.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 CID146800392
Molecular FormulaC21H21F4N5O2
Molecular Weight451.42 g/mol
Exact Mass451.16
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C21H21F4N5O2/c1-12-10-29(11-15-9-26-19(30(12)15)20(2,32)21(23,24)25)18(31)17-8-16(27-28(17)3)13-4-6-14(22)7-5-13/h4-9,12,32H,10-11H2,1-3H3/t12-,20+/m0/s1
InChIKeyRXTXTYQPYKEVKE-FKIZINRSSA-N
XLogP3.41
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 146800392) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 RXTXTYQPYKEVKE-FKIZINRSSA-N. The full InChI is InChI=1S/C21H21F4N5O2/c1-12-10-29(11-15-9-26-19(30(12)15)20(2,32)21(23,24)25)18(31)17-8-16(27-28(17)3)13-4-6-14(22)7-5-13/h4-9,12,32H,10-11H2,1-3H3/t12-,20+/m0/s1.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 451.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(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 146800392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).