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

• ChemBase ID: 774599
• Molecular Formular: C22H30N6O3
• Molecular Mass: 426.512
• Monoisotopic Mass: 426.23793885
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cn(nc1)C)CC2)CCCOC)Cc1ncccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cnn(c1)C)Cc1ccccn1
• InChI: InChI=1S/C22H30N6O3/c1-25-15-18(14-24-25)16-26-11-7-22(8-12-26)20(29)27(17-19-6-3-4-9-23-19)21(30)28(22)10-5-13-31-2/h3-4,6,9,14-15H,5,7-8,10-13,16-17H2,1-2H3
• InChIKey: RZUNVARIAGLXCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.5345604
• LogD (pH = 7.4): -0.7481112
• Log P: 0.005674926
• Molar Refractivity: 127.6888 cm^3
• Polarizability: 44.73646 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.42
• LOG S: -2.19
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 7