3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C17H15FN6O2S — CID 137018268

IUPAC3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(-c4ccc(F)s4)no3)c2[nH]1
InChIInChI=1S/C17H15FN6O2S/c18-13-2-1-12(27-13)15-22-17(26-23-15)10-8-20-24-11(7-14(25)21-16(10)24)9-3-5-19-6-4-9/h1-2,7-9,19H,3-6H2,(H,21,25)
InChIKeyVKJVSEXKIZLUER-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.41
Rot. Bonds3

About 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018268) has the molecular formula C17H15FN6O2S and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018268
Molecular FormulaC17H15FN6O2S
Molecular Weight386.41 g/mol
Exact Mass386.10
IUPAC Name3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(-c4ccc(F)s4)no3)c2[nH]1
InChIInChI=1S/C17H15FN6O2S/c18-13-2-1-12(27-13)15-22-17(26-23-15)10-8-20-24-11(7-14(25)21-16(10)24)9-3-5-19-6-4-9/h1-2,7-9,19H,3-6H2,(H,21,25)
InChIKeyVKJVSEXKIZLUER-UHFFFAOYSA-N
XLogP2.41
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018268) is 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nc(-c4ccc(F)s4)no3)c2[nH]1.
What is the InChIKey of 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VKJVSEXKIZLUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2S/c18-13-2-1-12(27-13)15-22-17(26-23-15)10-8-20-24-11(7-14(25)21-16(10)24)9-3-5-19-6-4-9/h1-2,7-9,19H,3-6H2,(H,21,25).
What are the key properties of 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 386.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).