1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone

C16H16FN3O — CID 123302860

IUPAC1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3nccnc3C2)c(F)c1
InChIInChI=1S/C16H16FN3O/c1-11-2-3-12(13(17)8-11)9-16(21)20-7-4-14-15(10-20)19-6-5-18-14/h2-3,5-6,8H,4,7,9-10H2,1H3
InChIKeyMGLCGDVYBMFYFG-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.05
Rot. Bonds2

About 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone

1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone (PubChem CID 123302860) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone
PubChem CID123302860
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3nccnc3C2)c(F)c1
InChIInChI=1S/C16H16FN3O/c1-11-2-3-12(13(17)8-11)9-16(21)20-7-4-14-15(10-20)19-6-5-18-14/h2-3,5-6,8H,4,7,9-10H2,1H3
InChIKeyMGLCGDVYBMFYFG-UHFFFAOYSA-N
XLogP2.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluoroazetidin-1-yl)-2-(2-fluoro-4-methylphenyl)ethanone
CID 123801587
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810
2-(2,5-dimethylphenyl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 70743092
1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)ethanone
CID 112533024
2-(4-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145210
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(4-ethoxy-2-fluorophenyl)ethanone
CID 129309575
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110815187
2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 56923362
7-[2-(7-methyl-2-oxochromen-4-yl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 171915277
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284357

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone (CID 123302860) is 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCc3nccnc3C2)c(F)c1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone?
The InChIKey is MGLCGDVYBMFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11-2-3-12(13(17)8-11)9-16(21)20-7-4-14-15(10-20)19-6-5-18-14/h2-3,5-6,8H,4,7,9-10H2,1H3.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone?
1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone has a molecular weight of 285.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-2-(2-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 123302860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).