2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione

C24H29FN4O5 — CID 54681857

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESO=C1c2c(O)c(=O)n(CC3(N4CCOCC4)CCCC3)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C24H29FN4O5/c25-18-5-3-17(4-6-18)15-26-9-10-28-19(21(26)31)20(30)22(32)29(23(28)33)16-24(7-1-2-8-24)27-11-13-34-14-12-27/h3-6,30H,1-2,7-16H2
InChIKeyIDQFVGOVVIJSMO-UHFFFAOYSA-N
MW472.52 g/mol
LogP1.16
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione

2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (PubChem CID 54681857) has the molecular formula C24H29FN4O5 and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
PubChem CID54681857
Molecular FormulaC24H29FN4O5
Molecular Weight472.52 g/mol
Exact Mass472.21
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
SMILESO=C1c2c(O)c(=O)n(CC3(N4CCOCC4)CCCC3)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C24H29FN4O5/c25-18-5-3-17(4-6-18)15-26-9-10-28-19(21(26)31)20(30)22(32)29(23(28)33)16-24(7-1-2-8-24)27-11-13-34-14-12-27/h3-6,30H,1-2,7-16H2
InChIKeyIDQFVGOVVIJSMO-UHFFFAOYSA-N
XLogP1.16
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholino-2-oxo-ethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684193
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-tetrahydrothiopyran-4-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54676801
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-(4-hydroxycyclohexyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54678887
7-(1-Acetyl-3-piperidyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54678891
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-(4-morpholinophenyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54678896
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1R,2S)-2-phenylcyclopropyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54680884
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
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1R,2S)-2-hydroxycyclohexyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54685065
4-[2-[Benzyl(methyl)amino]ethyl]-2-[(4-fluorophenyl)methyl]-9-hydroxy-7-isopropyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54685081
7-(1-Benzyl-2-oxo-azepan-3-yl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54685082

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione (CID 54681857) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is O=C1c2c(O)c(=O)n(CC3(N4CCOCC4)CCCC3)c(=O)n2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
The InChIKey is IDQFVGOVVIJSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O5/c25-18-5-3-17(4-6-18)15-26-9-10-28-19(21(26)31)20(30)22(32)29(23(28)33)16-24(7-1-2-8-24)27-11-13-34-14-12-27/h3-6,30H,1-2,7-16H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione?
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione has a molecular weight of 472.52 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione is sourced from PubChem (CID 54681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).