[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

C20H19FN6O2 — CID 75281167

IUPAC[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CC(c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C20H19FN6O2/c21-14-6-4-12(5-7-14)16-9-17(25-24-16)20(28)27-10-13(11-27)19-23-18(26-29-19)15-3-1-2-8-22-15/h1-8,13,16-17,24-25H,9-11H2
InChIKeySJARKKFVDAJXIW-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.80
Rot. Bonds4

About [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 75281167) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
PubChem CID75281167
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)NN1)N1CC(c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C20H19FN6O2/c21-14-6-4-12(5-7-14)16-9-17(25-24-16)20(28)27-10-13(11-27)19-23-18(26-29-19)15-3-1-2-8-22-15/h1-8,13,16-17,24-25H,9-11H2
InChIKeySJARKKFVDAJXIW-UHFFFAOYSA-N
XLogP1.80
TPSA96.18 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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281188
(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281242
6-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]diazinan-3-one
CID 75271214
5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 75975200
(2-fluorophenyl)-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110235442
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678
morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119870816
1-[(4-fluorophenyl)methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506631
2-cyclopentyl-1-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92577668
[(1S,2R)-2-aminocyclopentyl]-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 124699474

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 75281167) is [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is O=C(C1CC(c2ccc(F)cc2)NN1)N1CC(c2nc(-c3ccccn3)no2)C1.
What is the InChIKey of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is SJARKKFVDAJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-14-6-4-12(5-7-14)16-9-17(25-24-16)20(28)27-10-13(11-27)19-23-18(26-29-19)15-3-1-2-8-22-15/h1-8,13,16-17,24-25H,9-11H2.
What are the key properties of [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 394.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 75281167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).