3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 383357
• Molecular Formular: C25H28FN5O3
• Molecular Mass: 465.5199232
• Monoisotopic Mass: 465.217618
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2ncc(nc2)C)CC1)Cc1ccc(F)cc1)CC1CC1
• Canonical SMILES: Fc1ccc(cc1)CC1(NC(=O)N(C1=O)CC1CC1)C1CCN(CC1)C(=O)c1cnc(cn1)C
• InChI: InChI=1S/C25H28FN5O3/c1-16-13-28-21(14-27-16)22(32)30-10-8-19(9-11-30)25(12-17-4-6-20(26)7-5-17)23(33)31(24(34)29-25)15-18-2-3-18/h4-7,13-14,18-19H,2-3,8-12,15H2,1H3,(H,29,34)
• InChIKey: MWNXSMRLPHMNQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.454463
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6481284
• LogD (pH = 7.4): 1.6477561
• Log P: 1.6481346
• Molar Refractivity: 122.2953 cm^3
• Polarizability: 46.64562 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.43
• LOG S: -5.68
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 6