2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one

C24H29FN4O4 — CID 58476887

IUPAC2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC1(C)c2nc(C(=O)CCc3ccc(F)cc3)c(O)c(=O)n2CCN1CC(=O)N1CCCC1
InChIInChI=1S/C24H29FN4O4/c1-24(2)23-26-20(18(30)10-7-16-5-8-17(25)9-6-16)21(32)22(33)29(23)14-13-28(24)15-19(31)27-11-3-4-12-27/h5-6,8-9,32H,3-4,7,10-15H2,1-2H3
InChIKeyKGGQTXCBBUXZBV-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.08
Rot. Bonds6

About 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one

2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one (PubChem CID 58476887) has the molecular formula C24H29FN4O4 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
PubChem CID58476887
Molecular FormulaC24H29FN4O4
Molecular Weight456.52 g/mol
Exact Mass456.22
IUPAC Name2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC1(C)c2nc(C(=O)CCc3ccc(F)cc3)c(O)c(=O)n2CCN1CC(=O)N1CCCC1
InChIInChI=1S/C24H29FN4O4/c1-24(2)23-26-20(18(30)10-7-16-5-8-17(25)9-6-16)21(32)22(33)29(23)14-13-28(24)15-19(31)27-11-3-4-12-27/h5-6,8-9,32H,3-4,7,10-15H2,1-2H3
InChIKeyKGGQTXCBBUXZBV-UHFFFAOYSA-N
XLogP2.08
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-benzyl-2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
CID 58476803
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-[(4-methyl-1,3-oxazol-2-yl)methyl]-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
CID 58476870
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-8,9-dimethyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 58476882
2-[2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-8-yl]-N,N-dimethyl-2-oxoacetamide
CID 58476832
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(1-methyltetrazol-5-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698291
8-[2-(dimethylamino)acetyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698283
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-methylsulfonyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698279
2-[3-(4-fluoro-2-methylsulfonylphenyl)propanoyl]-3-hydroxy-7,8,8-trimethyl-6H-imidazo[1,5-a]pyrimidin-4-one
CID 58476929
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684172
N'-[4-[3-(4-fluorophenyl)propanoyl]-5-hydroxy-6-oxo-10-oxa-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]-N,N,N'-trimethyloxamide
CID 58063654
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,8-dihydropyrimido[2,1-d][1,2,5]thiadiazine-2-carboxamide
CID 91251624
N-[(4-fluorophenyl)methyl]-3-hydroxy-10,10-dimethyl-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 54684170

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one (CID 58476887) is 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one is CC1(C)c2nc(C(=O)CCc3ccc(F)cc3)c(O)c(=O)n2CCN1CC(=O)N1CCCC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is KGGQTXCBBUXZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4/c1-24(2)23-26-20(18(30)10-7-16-5-8-17(25)9-6-16)21(32)22(33)29(23)14-13-28(24)15-19(31)27-11-3-4-12-27/h5-6,8-9,32H,3-4,7,10-15H2,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 456.52 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58476887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).