8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C21H22FN3O4 — CID 172655333

IUPAC8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1c(C)ccn(-c3ccc(F)cc3)c1=O)C2
InChIInChI=1S/C21H22FN3O4/c1-3-21-12-23(10-11-25(21)20(28)29-13-21)18(26)17-14(2)8-9-24(19(17)27)16-6-4-15(22)5-7-16/h4-9H,3,10-13H2,1-2H3
InChIKeyWIULNHCKGREFTH-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.34
Rot. Bonds3

About 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 172655333) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID172655333
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)c1c(C)ccn(-c3ccc(F)cc3)c1=O)C2
InChIInChI=1S/C21H22FN3O4/c1-3-21-12-23(10-11-25(21)20(28)29-13-21)18(26)17-14(2)8-9-24(19(17)27)16-6-4-15(22)5-7-16/h4-9H,3,10-13H2,1-2H3
InChIKeyWIULNHCKGREFTH-UHFFFAOYSA-N
XLogP2.34
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172672286
ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 172672823
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172673919
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172672652
3-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-2-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172657136
7-[4-(difluoromethoxy)benzoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146039795
7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645866
1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172659354
7-(2H-benzotriazole-4-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146041620
8a-ethyl-7-[2-[4-(5-methyltetrazol-1-yl)phenyl]acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146039717
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
CID 172912085

Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 172655333) is 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)c1c(C)ccn(-c3ccc(F)cc3)c1=O)C2.
What is the InChIKey of 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is WIULNHCKGREFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-3-21-12-23(10-11-25(21)20(28)29-13-21)18(26)17-14(2)8-9-24(19(17)27)16-6-4-15(22)5-7-16/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 399.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 172655333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).