5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C23H20N4O4S — CID 53043171

IUPAC5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)c(OC)c1
InChIInChI=1S/C23H20N4O4S/c1-14-18(24-22(31-14)16-7-6-15(29-2)11-20(16)30-3)13-26-8-9-27-19(23(26)28)12-17(25-27)21-5-4-10-32-21/h4-12H,13H2,1-3H3
InChIKeyILAHGQUMICWLAR-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.25
Rot. Bonds6

About 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53043171) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53043171
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)c(OC)c1
InChIInChI=1S/C23H20N4O4S/c1-14-18(24-22(31-14)16-7-6-15(29-2)11-20(16)30-3)13-26-8-9-27-19(23(26)28)12-17(25-27)21-5-4-10-32-21/h4-12H,13H2,1-3H3
InChIKeyILAHGQUMICWLAR-UHFFFAOYSA-N
XLogP4.25
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53043171) is 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)c(OC)c1.
What is the InChIKey of 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ILAHGQUMICWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-14-18(24-22(31-14)16-7-6-15(29-2)11-20(16)30-3)13-26-8-9-27-19(23(26)28)12-17(25-27)21-5-4-10-32-21/h4-12H,13H2,1-3H3.
What are the key properties of 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 448.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53043171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).