5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one

C16H18N4O3 — CID 126475139

IUPAC5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCCn1c(=O)[nH]c2nc(-c3ccc(OC)cc3)cnc21
InChIInChI=1S/C16H18N4O3/c1-22-9-3-8-20-15-14(19-16(20)21)18-13(10-17-15)11-4-6-12(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21)
InChIKeySCEFCWJFOMASEA-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.83
Rot. Bonds6

About 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one

5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126475139) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126475139
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCOCCCn1c(=O)[nH]c2nc(-c3ccc(OC)cc3)cnc21
InChIInChI=1S/C16H18N4O3/c1-22-9-3-8-20-15-14(19-16(20)21)18-13(10-17-15)11-4-6-12(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21)
InChIKeySCEFCWJFOMASEA-UHFFFAOYSA-N
XLogP1.83
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126475139) is 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one is COCCCn1c(=O)[nH]c2nc(-c3ccc(OC)cc3)cnc21.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is SCEFCWJFOMASEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-9-3-8-20-15-14(19-16(20)21)18-13(10-17-15)11-4-6-12(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 314.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126475139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).