3-(2,3-dihydro-1H-inden-2-yl)-5-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione

• ChemBase ID: 343785
• Molecular Formular: C25H33N5O2
• Molecular Mass: 435.56182
• Monoisotopic Mass: 435.26342532
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(Cc2c(nn(c2)CC)C)CC1)C)C1Cc2c(C1)cccc2
• Canonical SMILES: CCn1cc(c(n1)C)CN1CCC(CC1)C1(C)NC(=O)N(C1=O)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C25H33N5O2/c1-4-29-16-20(17(2)27-29)15-28-11-9-21(10-12-28)25(3)23(31)30(24(32)26-25)22-13-18-7-5-6-8-19(18)14-22/h5-8,16,21-22H,4,9-15H2,1-3H3,(H,26,32)
• InChIKey: MYYJZHYLECPQPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1H-inden-2-yl)-5-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-(2,3-dihydro-1H-inden-2-yl)-5-{1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione
• Synonyms: 3-(2,3-dihydro-1H-inden-2-yl)-5-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-5-methyl-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.477981
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 6.6298863E-4
• LogD (pH = 7.4): 1.7747183
• Log P: 2.658886
• Molar Refractivity: 135.874 cm^3
• Polarizability: 47.786766 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.42
• LOG S: -5.89
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4