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

C20H19FN6O2 — CID 137018297

IUPAC3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(Cc4ccc(F)cc4)no3)c2[nH]1
InChIInChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)9-17-24-20(29-26-17)15-11-23-27-16(10-18(28)25-19(15)27)13-5-7-22-8-6-13/h1-4,10-11,13,22H,5-9H2,(H,25,28)
InChIKeyIDHKLCNOKFWPNX-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.27
Rot. Bonds4

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

3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018297) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018297
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2ncc(-c3nc(Cc4ccc(F)cc4)no3)c2[nH]1
InChIInChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)9-17-24-20(29-26-17)15-11-23-27-16(10-18(28)25-19(15)27)13-5-7-22-8-6-13/h1-4,10-11,13,22H,5-9H2,(H,25,28)
InChIKeyIDHKLCNOKFWPNX-UHFFFAOYSA-N
XLogP2.27
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018297) is 3-[3-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2ncc(-c3nc(Cc4ccc(F)cc4)no3)c2[nH]1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IDHKLCNOKFWPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-14-3-1-12(2-4-14)9-17-24-20(29-26-17)15-11-23-27-16(10-18(28)25-19(15)27)13-5-7-22-8-6-13/h1-4,10-11,13,22H,5-9H2,(H,25,28).
What are the key properties of 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 394.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).