N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-{8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl}acetamide

• ChemBase ID: 410142
• Molecular Formular: C18H29N5O2
• Molecular Mass: 347.45516
• Monoisotopic Mass: 347.23212519
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)C)CC(=O)N(CCc1cn(nc1)C)C
• Canonical SMILES: CN1CCC2(CC1)CC(=O)N(C2)CC(=O)N(CCc1cnn(c1)C)C
• InChI: InChI=1S/C18H29N5O2/c1-20-8-5-18(6-9-20)10-16(24)23(14-18)13-17(25)21(2)7-4-15-11-19-22(3)12-15/h11-12H,4-10,13-14H2,1-3H3
• InChIKey: QUXBLIZERFCSKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-{8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl}acetamide
• IUPAC Traditional name: N-methyl-2-{8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl}-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
• Synonyms: N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]dec-2-yl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.509
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.9609423
• LogD (pH = 7.4): -2.325698
• Log P: -0.8104687
• Molar Refractivity: 108.5204 cm^3
• Polarizability: 37.181053 Å^3
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.39
• LOG S: -2.71
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 5