2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C16H17FN2O2 — CID 129165374

IUPAC2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(c1ccc(F)cc1)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C16H17FN2O2/c1-11(12-2-4-13(17)5-3-12)18-6-7-19-10-16(21)15(20)8-14(19)9-18/h2-5,8,10-11,21H,6-7,9H2,1H3
InChIKeyKPHXUJLIGWRLRN-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.27
Rot. Bonds2

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

2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165374) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165374
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(c1ccc(F)cc1)N1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C16H17FN2O2/c1-11(12-2-4-13(17)5-3-12)18-6-7-19-10-16(21)15(20)8-14(19)9-18/h2-5,8,10-11,21H,6-7,9H2,1H3
InChIKeyKPHXUJLIGWRLRN-UHFFFAOYSA-N
XLogP2.27
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-2-methyl-1-(phenylmethyl)-4(1H)-pyridinone
CID 9549917
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
7-hydroxy-2-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165377
2-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165448
2-[(2-chloro-6-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165460
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-chloro-4-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165543
2-[(2-fluorophenyl)methyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165554

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165374) is 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CC(c1ccc(F)cc1)N1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is KPHXUJLIGWRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(12-2-4-13(17)5-3-12)18-6-7-19-10-16(21)15(20)8-14(19)9-18/h2-5,8,10-11,21H,6-7,9H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 288.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).