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

C21H19N5O3 — CID 137154138

IUPAC5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(O)cc3)cnc2n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H19N5O3/c27-17-7-1-14(2-8-17)18-13-22-20-19(23-18)24-21(28)26(20)16-5-3-15(4-6-16)25-9-11-29-12-10-25/h1-8,13,27H,9-12H2,(H,23,24,28)
InChIKeyYENWRSDZZAPPPK-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.32
Rot. Bonds3

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

5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 137154138) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID137154138
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(O)cc3)cnc2n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H19N5O3/c27-17-7-1-14(2-8-17)18-13-22-20-19(23-18)24-21(28)26(20)16-5-3-15(4-6-16)25-9-11-29-12-10-25/h1-8,13,27H,9-12H2,(H,23,24,28)
InChIKeyYENWRSDZZAPPPK-UHFFFAOYSA-N
XLogP2.32
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-5-(4-piperazin-1-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one
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5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
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CID 162733690
5-[4-(morpholine-4-carbonyl)phenyl]-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 126471041
N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide
CID 126470712
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475
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CID 102533214
4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine
CID 58874981
3-[(2-amino-4-pyridinyl)methoxy]-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine
CID 176913103
1-morpholin-4-yl-2-[4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]ethanone
CID 59392811
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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 137154138) is 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2nc(-c3ccc(O)cc3)cnc2n1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is YENWRSDZZAPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-17-7-1-14(2-8-17)18-13-22-20-19(23-18)24-21(28)26(20)16-5-3-15(4-6-16)25-9-11-29-12-10-25/h1-8,13,27H,9-12H2,(H,23,24,28).
What are the key properties of 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one?
5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 389.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 137154138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).