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

C17H20N4O — CID 24984851

IUPAC3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)c1cccc(-c2cnc3[nH]c(=O)n(C(C)C)c3n2)c1
InChIInChI=1S/C17H20N4O/c1-10(2)12-6-5-7-13(8-12)14-9-18-15-16(19-14)21(11(3)4)17(22)20-15/h5-11H,1-4H3,(H,18,20,22)
InChIKeyMYLKYFVBOPOJNX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.49
Rot. Bonds3

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

3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24984851) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24984851
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)c1cccc(-c2cnc3[nH]c(=O)n(C(C)C)c3n2)c1
InChIInChI=1S/C17H20N4O/c1-10(2)12-6-5-7-13(8-12)14-9-18-15-16(19-14)21(11(3)4)17(22)20-15/h5-11H,1-4H3,(H,18,20,22)
InChIKeyMYLKYFVBOPOJNX-UHFFFAOYSA-N
XLogP3.49
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-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

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 24984851) is 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)c1cccc(-c2cnc3[nH]c(=O)n(C(C)C)c3n2)c1.
What is the InChIKey of 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is MYLKYFVBOPOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10(2)12-6-5-7-13(8-12)14-9-18-15-16(19-14)21(11(3)4)17(22)20-15/h5-11H,1-4H3,(H,18,20,22).
What are the key properties of 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24984851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).