7-cyclopentyl-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 832142
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(c2nc(c(nc2)C)C)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)c1cnc(c(n1)C)C)C1CCCC1
• InChI: InChI=1S/C19H28N4O/c1-14-15(2)21-17(12-20-14)22-11-9-19(13-22)8-5-10-23(18(19)24)16-6-3-4-7-16/h12,16H,3-11,13H2,1-2H3
• InChIKey: HDAVFJVPAVJVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(5,6-dimethyl-2-pyrazinyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.809235
• LogD (pH = 7.4): 1.8097471
• Log P: 1.8097537
• Molar Refractivity: 94.6954 cm^3
• Polarizability: 36.16886 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.69
• LOG S: -3.89
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2