7-(cyclopropylmethyl)-2-{[3-(1H-pyrazol-1-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 714236
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(Cc2cc(n3nccc3)ccc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1cccc(c1)n1cccn1)CC1CC1
• InChI: InChI=1S/C22H28N4O/c27-21-22(8-2-11-25(21)16-18-6-7-18)9-13-24(17-22)15-19-4-1-5-20(14-19)26-12-3-10-23-26/h1,3-5,10,12,14,18H,2,6-9,11,13,15-17H2
• InChIKey: CTQMGJUKNFEWNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-{[3-(1H-pyrazol-1-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-{[3-(pyrazol-1-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-[3-(1H-pyrazol-1-yl)benzyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6886892
• LogD (pH = 7.4): 0.46054444
• Log P: 2.7329473
• Molar Refractivity: 107.5173 cm^3
• Polarizability: 41.901054 Å^3
• Polar Surface Area: 41.37 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: 3.16
• LOG S: -3.66
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5