2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C28H28N4O5 — CID 53210695

IUPAC2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)oc4C)ccn3n2)cc1OC
InChIInChI=1S/C28H28N4O5/c1-17(2)36-21-9-6-19(7-10-21)27-29-23(18(3)37-27)16-31-12-13-32-24(28(31)33)15-22(30-32)20-8-11-25(34-4)26(14-20)35-5/h6-15,17H,16H2,1-5H3
InChIKeyYEDJGZLNUUYKBV-UHFFFAOYSA-N
MW500.56 g/mol
LogP4.98
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53210695) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53210695
Molecular FormulaC28H28N4O5
Molecular Weight500.56 g/mol
Exact Mass500.21
IUPAC Name2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)oc4C)ccn3n2)cc1OC
InChIInChI=1S/C28H28N4O5/c1-17(2)36-21-9-6-19(7-10-21)27-29-23(18(3)37-27)16-31-12-13-32-24(28(31)33)15-22(30-32)20-8-11-25(34-4)26(14-20)35-5/h6-15,17H,16H2,1-5H3
InChIKeyYEDJGZLNUUYKBV-UHFFFAOYSA-N
XLogP4.98
TPSA93.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
2-(4-ethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093005
2-(4-chlorophenyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092968
2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371170
5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043167
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53092975
5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575313
2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91894046
N-(2,5-dimethoxyphenyl)-5-methyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089189
3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole
CID 50838051
5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889255
5-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126020

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53210695) is 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)oc4C)ccn3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YEDJGZLNUUYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c1-17(2)36-21-9-6-19(7-10-21)27-29-23(18(3)37-27)16-31-12-13-32-24(28(31)33)15-22(30-32)20-8-11-25(34-4)26(14-20)35-5/h6-15,17H,16H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 500.56 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53210695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).