1-methyl-8-[(1-methyl-1H-indol-3-yl)methyl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 404157
• Molecular Formular: C24H27N5O2
• Molecular Mass: 417.50348
• Monoisotopic Mass: 417.21647513
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cn(c3c1cccc3)C)CC2)C)Cc1cnccc1
• Canonical SMILES: O=C1N(Cc2cccnc2)C(=O)C2(N1C)CCN(CC2)Cc1cn(c2c1cccc2)C
• InChI: InChI=1S/C24H27N5O2/c1-26-16-19(20-7-3-4-8-21(20)26)17-28-12-9-24(10-13-28)22(30)29(23(31)27(24)2)15-18-6-5-11-25-14-18/h3-8,11,14,16H,9-10,12-13,15,17H2,1-2H3
• InChIKey: WBZMVIFAIWVUHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-8-[(1-methyl-1H-indol-3-yl)methyl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-methyl-8-[(1-methylindol-3-yl)methyl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-methyl-8-[(1-methyl-1H-indol-3-yl)methyl]-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5774066
• LogD (pH = 7.4): -0.053255584
• Log P: 1.8057969
• Molar Refractivity: 119.3819 cm^3
• Polarizability: 46.885166 Å^3
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.55
• LOG S: -3.71
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 4