N-[[5-[(2S)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
AlkaPlorer ID: AK549817
Synonym: None
IUPAC Name: N-[[5-[(2S)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
Structure
SMILES: CC1=NN(C)C(C(=O)NCC2=NOC([C@@H]3CCC(=O)N3CC3=CC=CC=C3F)=N2)=C1
InChI: InChI=1S/C20H21FN6O3/c1-12-9-16(26(2)24-12)19(29)22-10-17-23-20(30-25-17)15-7-8-18(28)27(15)11-13-5-3-4-6-14(13)21/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,22,29)/t15-/m0/s1
InChIKey: VNVMRFYKCXXYHP-HNNXBMFYSA-N
Reference
PubChem CID: 145872597
Source
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Properties Information
Molecule Weight: 412.42500000000007
TPSA？: 106.15
MolLogP？: 2.044319999999999
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
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