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

C19H12FN5O2S — CID 53076236

IUPAC5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H12FN5O2S/c20-13-4-1-3-12(9-13)18-21-17(27-23-18)11-24-6-7-25-15(19(24)26)10-14(22-25)16-5-2-8-28-16/h1-10H,11H2
InChIKeyMPOCHWWEZXEAKT-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.46
Rot. Bonds4

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

5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53076236) has the molecular formula C19H12FN5O2S and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53076236
Molecular FormulaC19H12FN5O2S
Molecular Weight393.40 g/mol
Exact Mass393.07
IUPAC Name5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H12FN5O2S/c20-13-4-1-3-12(9-13)18-21-17(27-23-18)11-24-6-7-25-15(19(24)26)10-14(22-25)16-5-2-8-28-16/h1-10H,11H2
InChIKeyMPOCHWWEZXEAKT-UHFFFAOYSA-N
XLogP3.46
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 53076236) is 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MPOCHWWEZXEAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O2S/c20-13-4-1-3-12(9-13)18-21-17(27-23-18)11-24-6-7-25-15(19(24)26)10-14(22-25)16-5-2-8-28-16/h1-10H,11H2.
What are the key properties of 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 393.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53076236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).