7-(2-methoxyethyl)-2-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 320749
• Molecular Formular: C18H28N4O3
• Molecular Mass: 348.43992
• Monoisotopic Mass: 348.21614078
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)CCc2n(ncc2)C)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)CCc1ccnn1C
• InChI: InChI=1S/C18H28N4O3/c1-20-15(6-9-19-20)4-5-16(23)22-11-8-18(14-22)7-3-10-21(17(18)24)12-13-25-2/h6,9H,3-5,7-8,10-14H2,1-2H3
• InChIKey: UVVMBUIDWIHOOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.20726007
• LogD (pH = 7.4): -0.20714197
• Log P: -0.20714046
• Molar Refractivity: 106.1735 cm^3
• Polarizability: 36.369522 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.02
• LOG S: -3.03
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6