7-(cyclobutylmethyl)-2-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 322795
• Molecular Formular: C23H32N4
• Molecular Mass: 364.52698
• Monoisotopic Mass: 364.26269704
• SMILES: n1(ncc(c1)CN1CC2(CN(CC3CCC3)CCC2)CC1)c1ccccc1
• Canonical SMILES: C1CC(C1)CN1CCCC2(C1)CCN(C2)Cc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C23H32N4/c1-2-8-22(9-3-1)27-17-21(14-24-27)16-26-13-11-23(19-26)10-5-12-25(18-23)15-20-6-4-7-20/h1-3,8-9,14,17,20H,4-7,10-13,15-16,18-19H2
• InChIKey: MJYSPXOFTHIPOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[(1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclobutylmethyl)-2-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.375727
• LogD (pH = 7.4): 0.67815083
• Log P: 3.7733893
• Molar Refractivity: 112.287 cm^3
• Polarizability: 44.109104 Å^3
• Polar Surface Area: 24.3 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: 4.63
• LOG S: -3.47
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5