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

C19H17FN6O2 — CID 137018504

IUPAC3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3noc(-c4ccccc4F)n3)c2[nH]1
InChIInChI=1S/C19H17FN6O2/c20-14-4-2-1-3-12(14)19-24-17(25-28-19)13-10-22-26-15(9-16(27)23-18(13)26)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2,(H,23,27)
InChIKeyJQVIYFNPZJZJPY-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.35
Rot. Bonds3

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

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018504) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018504
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3noc(-c4ccccc4F)n3)c2[nH]1
InChIInChI=1S/C19H17FN6O2/c20-14-4-2-1-3-12(14)19-24-17(25-28-19)13-10-22-26-15(9-16(27)23-18(13)26)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2,(H,23,27)
InChIKeyJQVIYFNPZJZJPY-UHFFFAOYSA-N
XLogP2.35
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56835800
US10118930, Example 216
CID 137529820
3-[7-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 2819735
3-[5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 53140898
5-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171724
5-[5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171726
5-[5-(3,4-Difluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171728
5-[5-(2,4-Difluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171732
5-[5-(2,5-Difluorophenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171735
5-[5-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-YL]-2-(1H-pyrazol-1-YL)pyridine
CID 53171741
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53612923
1-[3-(4-Fluorophenyl)-1H-pyrazole-4-carbonyl]-3-[(5-phenyl-1,2,4-oxadiazol-3-YL)methyl]piperidine
CID 91907974

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018504) is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3noc(-c4ccccc4F)n3)c2[nH]1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JQVIYFNPZJZJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-14-4-2-1-3-12(14)19-24-17(25-28-19)13-10-22-26-15(9-16(27)23-18(13)26)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2,(H,23,27).
What are the key properties of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 380.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).