1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one

C21H20N6O — CID 126469863

IUPAC1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(N4CCNCC4)cc3)cnc2n1-c1ccccc1
InChIInChI=1S/C21H20N6O/c28-21-25-19-20(27(21)17-4-2-1-3-5-17)23-14-18(24-19)15-6-8-16(9-7-15)26-12-10-22-11-13-26/h1-9,14,22H,10-13H2,(H,24,25,28)
InChIKeyRUNGGLWRIJIFSS-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.19
Rot. Bonds3

About 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one

1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126469863) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126469863
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(N4CCNCC4)cc3)cnc2n1-c1ccccc1
InChIInChI=1S/C21H20N6O/c28-21-25-19-20(27(21)17-4-2-1-3-5-17)23-14-18(24-19)15-6-8-16(9-7-15)26-12-10-22-11-13-26/h1-9,14,22H,10-13H2,(H,24,25,28)
InChIKeyRUNGGLWRIJIFSS-UHFFFAOYSA-N
XLogP2.19
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one 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

5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 137154138
3-(1,3-benzothiazol-5-yl)-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 54764569
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
4-methyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82482056
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
CID 3233487
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole
CID 118012227
2-(5-piperazin-1-yl-2-pyridinyl)isoindole-1,3-dione
CID 130622966

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126469863) is 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nc(-c3ccc(N4CCNCC4)cc3)cnc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is RUNGGLWRIJIFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21-25-19-20(27(21)17-4-2-1-3-5-17)23-14-18(24-19)15-6-8-16(9-7-15)26-12-10-22-11-13-26/h1-9,14,22H,10-13H2,(H,24,25,28).
What are the key properties of 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126469863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).