3-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione

• ChemBase ID: 327495
• Molecular Formular: C25H27FN4O3
• Molecular Mass: 450.5052832
• Monoisotopic Mass: 450.20671896
• SMILES: N1(C(=O)C(NC1=O)(c1cnccc1)C1CCN(C(=O)C2(CC2)C)CC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CN1C(=O)NC(C1=O)(C1CCN(CC1)C(=O)C1(C)CC1)c1cccnc1
• InChI: InChI=1S/C25H27FN4O3/c1-24(10-11-24)21(31)29-13-8-18(9-14-29)25(19-3-2-12-27-15-19)22(32)30(23(33)28-25)16-17-4-6-20(26)7-5-17/h2-7,12,15,18H,8-11,13-14,16H2,1H3,(H,28,33)
• InChIKey: GLOZCYYRYHFWDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• Synonyms: 3-(4-fluorobenzyl)-5-{1-[(1-methylcyclopropyl)carbonyl]-4-piperidinyl}-5-(3-pyridinyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.2808
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4281871
• LogD (pH = 7.4): 2.4841092
• Log P: 2.4854572
• Molar Refractivity: 119.378 cm^3
• Polarizability: 45.941082 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.05
• LOG S: -5.19
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5