8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 865195
• Molecular Formular: C24H34N6O3
• Molecular Mass: 454.56516
• Monoisotopic Mass: 454.26923898
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(n(nc1)C)C)CC2)CCOC)CCCc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cnn(c1C)C)CCCc1cccnc1
• InChI: InChI=1S/C24H34N6O3/c1-19-21(17-26-27(19)2)18-28-12-8-24(9-13-28)22(31)29(23(32)30(24)14-15-33-3)11-5-7-20-6-4-10-25-16-20/h4,6,10,16-17H,5,7-9,11-15,18H2,1-3H3
• InChIKey: PZCPMEBCHVHGDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.0254848
• LogD (pH = 7.4): -0.16336022
• Log P: 0.7970345
• Molar Refractivity: 137.8513 cm^3
• Polarizability: 48.3335 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.41
• LOG S: -3.08
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 8