2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide

C23H27FN4O5 — CID 54692277

IUPAC2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1Cn2c(c(O)c(=O)n(C3CCCC3)c2=O)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O5/c1-25(2)18(29)11-17-13-27-19(21(31)26(17)12-14-7-9-15(24)10-8-14)20(30)22(32)28(23(27)33)16-5-3-4-6-16/h7-10,16-17,30H,3-6,11-13H2,1-2H3
InChIKeyCNWOICHXCKCFNY-UHFFFAOYSA-N
MW458.49 g/mol
LogP1.47
Rot. Bonds5

About 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide

2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide (PubChem CID 54692277) has the molecular formula C23H27FN4O5 and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide
PubChem CID54692277
Molecular FormulaC23H27FN4O5
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC Name2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1Cn2c(c(O)c(=O)n(C3CCCC3)c2=O)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O5/c1-25(2)18(29)11-17-13-27-19(21(31)26(17)12-14-7-9-15(24)10-8-14)20(30)22(32)28(23(27)33)16-5-3-4-6-16/h7-10,16-17,30H,3-6,11-13H2,1-2H3
InChIKeyCNWOICHXCKCFNY-UHFFFAOYSA-N
XLogP1.47
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-tetrahydrothiopyran-4-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54676801
2-[(3-Chloro-4-fluoro-phenyl)methyl]-9-hydroxy-7-isopropyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54677949
7-(1-Acetyl-3-piperidyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54678891
Methyl 2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-7-yl]-4-methylsulfanyl-butanoate
CID 54678894
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1R,2S)-2-phenylcyclopropyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54680884
2-[(2-Chloro-4-fluoro-phenyl)methyl]-9-hydroxy-7-isopropyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54681839
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholinocyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54681857
7-[3-(Dibutylamino)propyl]-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54683920
7-Cyclohexyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54683958
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-tetrahydropyran-4-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54683959
N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methyl-acetamide
CID 54684489
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1R,2S)-2-hydroxycyclohexyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54685065

Frequently Asked Questions

What is the IUPAC name of 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide (CID 54692277) is 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1Cn2c(c(O)c(=O)n(C3CCCC3)c2=O)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is CNWOICHXCKCFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O5/c1-25(2)18(29)11-17-13-27-19(21(31)26(17)12-14-7-9-15(24)10-8-14)20(30)22(32)28(23(27)33)16-5-3-4-6-16/h7-10,16-17,30H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide?
2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 458.49 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 54692277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).