1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one

C23H20F4N6O3 — CID 121073200

IUPAC1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C23H20F4N6O3/c24-16-2-4-17(5-3-16)33-13-15(11-19(33)34)21(35)32-9-7-31(8-10-32)18-6-1-14(12-28-18)20-29-22(36-30-20)23(25,26)27/h1-6,12,15H,7-11,13H2
InChIKeyCQMNWMXOVBEBGX-UHFFFAOYSA-N
MW504.44 g/mol
LogP2.99
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121073200) has the molecular formula C23H20F4N6O3 and a molecular weight of 504.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID121073200
Molecular FormulaC23H20F4N6O3
Molecular Weight504.44 g/mol
Exact Mass504.15
IUPAC Name1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C23H20F4N6O3/c24-16-2-4-17(5-3-16)33-13-15(11-19(33)34)21(35)32-9-7-31(8-10-32)18-6-1-14(12-28-18)20-29-22(36-30-20)23(25,26)27/h1-6,12,15H,7-11,13H2
InChIKeyCQMNWMXOVBEBGX-UHFFFAOYSA-N
XLogP2.99
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclobutyl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491592
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 121073253
3-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 71780513
1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122338989
N-[4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]phenyl]acetamide
CID 90491564
3-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 175784176
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
1-(4-methylphenyl)-4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91631587
N-[2-oxo-2-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 90491551
6-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 175784314

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 121073200) is 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CQMNWMXOVBEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O3/c24-16-2-4-17(5-3-16)33-13-15(11-19(33)34)21(35)32-9-7-31(8-10-32)18-6-1-14(12-28-18)20-29-22(36-30-20)23(25,26)27/h1-6,12,15H,7-11,13H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 504.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121073200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).