7-(cyclobutylmethyl)-2-(1-ethyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 840699
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: c1(nn(cc1)CC)C(=O)N1CC2(C(=O)N(CC3CCC3)CCC2)CC1
• Canonical SMILES: CCn1ccc(n1)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CCC1
• InChI: InChI=1S/C19H28N4O2/c1-2-23-11-7-16(20-23)17(24)22-12-9-19(14-22)8-4-10-21(18(19)25)13-15-5-3-6-15/h7,11,15H,2-6,8-10,12-14H2,1H3
• InChIKey: GCXRFVNYDZQDHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-(1-ethyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-(1-ethylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclobutylmethyl)-2-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.618809
• LogD (pH = 7.4): 1.6188115
• Log P: 1.6188116
• Molar Refractivity: 107.3657 cm^3
• Polarizability: 36.56623 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.25
• LOG S: -3.23
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4