7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C16H15F3N2O2 — CID 129165377

IUPAC7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)8-20-5-6-21-10-15(23)14(22)7-12(21)9-20/h1-4,7,10,23H,5-6,8-9H2
InChIKeyJBRCWPPLLMSMCA-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.59
Rot. Bonds2

About 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165377) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165377
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1ccccc1C(F)(F)F)C2
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)8-20-5-6-21-10-15(23)14(22)7-12(21)9-20/h1-4,7,10,23H,5-6,8-9H2
InChIKeyJBRCWPPLLMSMCA-UHFFFAOYSA-N
XLogP2.59
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165296
2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165376
2-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165448
2-[(2,6-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165493
2-[(2,6-difluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165494
2-[(7-hydroxy-8-oxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl)methyl]benzonitrile
CID 129165527
2-[(2,4-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165534
2-[(2-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165554
2-[(2,3-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165556
7-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165564
7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 155523978
4-[(7-hydroxy-8-oxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl)methyl]benzonitrile
CID 155543901

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165377) is 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(Cc1ccccc1C(F)(F)F)C2.
What is the InChIKey of 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is JBRCWPPLLMSMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)8-20-5-6-21-10-15(23)14(22)7-12(21)9-20/h1-4,7,10,23H,5-6,8-9H2.
What are the key properties of 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 324.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).