5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one

C25H21FN4O3 — CID 53092974

IUPAC5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C25H21FN4O3/c1-3-32-20-10-6-18(7-11-20)24-27-22(16(2)33-24)15-29-12-13-30-23(25(29)31)14-21(28-30)17-4-8-19(26)9-5-17/h4-14H,3,15H2,1-2H3
InChIKeyYZOXOBHSGFJINY-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.71
Rot. Bonds6

About 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53092974) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53092974
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Name5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)c(C)o2)cc1
InChIInChI=1S/C25H21FN4O3/c1-3-32-20-10-6-18(7-11-20)24-27-22(16(2)33-24)15-29-12-13-30-23(25(29)31)14-21(28-30)17-4-8-19(26)9-5-17/h4-14H,3,15H2,1-2H3
InChIKeyYZOXOBHSGFJINY-UHFFFAOYSA-N
XLogP4.71
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 53092974) is 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)c(C)o2)cc1.
What is the InChIKey of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YZOXOBHSGFJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-3-32-20-10-6-18(7-11-20)24-27-22(16(2)33-24)15-29-12-13-30-23(25(29)31)14-21(28-30)17-4-8-19(26)9-5-17/h4-14H,3,15H2,1-2H3.
What are the key properties of 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 444.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53092974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).