2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C14H13F3N4O2 — CID 136565944

IUPAC2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESO=C(C(O)c1cccnc1)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)13-19-7-10-8-20(4-5-21(10)13)12(23)11(22)9-2-1-3-18-6-9/h1-3,6-7,11,22H,4-5,8H2
InChIKeyGLJYSFFUTMGDOI-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.37
Rot. Bonds2

About 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 136565944) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID136565944
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESO=C(C(O)c1cccnc1)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)13-19-7-10-8-20(4-5-21(10)13)12(23)11(22)9-2-1-3-18-6-9/h1-3,6-7,11,22H,4-5,8H2
InChIKeyGLJYSFFUTMGDOI-UHFFFAOYSA-N
XLogP1.37
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide
CID 166407904
1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154842855
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethanone
CID 154835572
7-[(3-methyl-2-pyridinyl)sulfonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 167765171
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
(2S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 71720882
sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(dipyridin-3-ylmethyl)piperazine-1-carboxylate
CID 71656799

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 136565944) is 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is O=C(C(O)c1cccnc1)N1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is GLJYSFFUTMGDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)13-19-7-10-8-20(4-5-21(10)13)12(23)11(22)9-2-1-3-18-6-9/h1-3,6-7,11,22H,4-5,8H2.
What are the key properties of 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 326.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-pyridin-3-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 136565944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).