2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C16H18F2N2O2 — CID 166720874

IUPAC2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(N1CCn2cc(O)c(=O)cc2C1)C1(F)C=CC=CC1F
InChIInChI=1S/C16H18F2N2O2/c1-11(16(18)5-3-2-4-15(16)17)19-6-7-20-10-14(22)13(21)8-12(20)9-19/h2-5,8,10-11,15,22H,6-7,9H2,1H3
InChIKeyIMJQOKUFDVMPLL-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.93
Rot. Bonds2

About 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 166720874) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID166720874
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(N1CCn2cc(O)c(=O)cc2C1)C1(F)C=CC=CC1F
InChIInChI=1S/C16H18F2N2O2/c1-11(16(18)5-3-2-4-15(16)17)19-6-7-20-10-14(22)13(21)8-12(20)9-19/h2-5,8,10-11,15,22H,6-7,9H2,1H3
InChIKeyIMJQOKUFDVMPLL-UHFFFAOYSA-N
XLogP1.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 166720874) is 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CC(N1CCn2cc(O)c(=O)cc2C1)C1(F)C=CC=CC1F.
What is the InChIKey of 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is IMJQOKUFDVMPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-11(16(18)5-3-2-4-15(16)17)19-6-7-20-10-14(22)13(21)8-12(20)9-19/h2-5,8,10-11,15,22H,6-7,9H2,1H3.
What are the key properties of 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 308.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethyl]-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 166720874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).