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

C25H21FN4O3 — CID 53092980

IUPAC5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c(C)o1
InChIInChI=1S/C25H21FN4O3/c1-3-32-23-7-5-4-6-19(23)24-27-21(16(2)33-24)15-29-12-13-30-22(25(29)31)14-20(28-30)17-8-10-18(26)11-9-17/h4-14H,3,15H2,1-2H3
InChIKeyZCRBTLZOHQKQKW-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.71
Rot. Bonds6

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

5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53092980) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53092980
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Name5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c(C)o1
InChIInChI=1S/C25H21FN4O3/c1-3-32-23-7-5-4-6-19(23)24-27-21(16(2)33-24)15-29-12-13-30-22(25(29)31)14-20(28-30)17-8-10-18(26)11-9-17/h4-14H,3,15H2,1-2H3
InChIKeyZCRBTLZOHQKQKW-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-(2-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-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 53092980) is 5-[[2-(2-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-(2-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-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c(C)o1.
What is the InChIKey of 5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZCRBTLZOHQKQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-3-32-23-7-5-4-6-19(23)24-27-21(16(2)33-24)15-29-12-13-30-22(25(29)31)14-20(28-30)17-8-10-18(26)11-9-17/h4-14H,3,15H2,1-2H3.
What are the key properties of 5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(2-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-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53092980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).