4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

• ChemBase ID: 420700
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1(C2CN(C(=O)C3CN(C(=O)C3)Cc3ccncc3)C2)nc(cc1C)C
• Canonical SMILES: O=C(C1CC(=O)N(C1)Cc1ccncc1)N1CC(C1)n1nc(cc1C)C
• InChI: InChI=1S/C19H23N5O2/c1-13-7-14(2)24(21-13)17-11-23(12-17)19(26)16-8-18(25)22(10-16)9-15-3-5-20-6-4-15/h3-7,16-17H,8-12H2,1-2H3
• InChIKey: VSCWIZOUMQFIKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
• IUPAC Traditional name: 4-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
• Synonyms: 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-azetidinyl]carbonyl}-1-(4-pyridinylmethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.49361554
• LogD (pH = 7.4): -0.38297015
• Log P: -0.3813165
• Molar Refractivity: 107.7466 cm^3
• Polarizability: 36.909233 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.25
• LOG S: -1.57
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 4