2-cyclopropyl-9-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 624003
• Molecular Formular: C24H34N4
• Molecular Mass: 378.55356
• Monoisotopic Mass: 378.27834711
• SMILES: c1(c(n(nc1)C)C)CN1CCC2(CN(C3CC3)CC(C2)c2ccccc2)CC1
• Canonical SMILES: Cn1ncc(c1C)CN1CCC2(CC1)CN(CC(C2)c1ccccc1)C1CC1
• InChI: InChI=1S/C24H34N4/c1-19-22(15-25-26(19)2)16-27-12-10-24(11-13-27)14-21(20-6-4-3-5-7-20)17-28(18-24)23-8-9-23/h3-7,15,21,23H,8-14,16-18H2,1-2H3
• InChIKey: DHUYSSVVEHSDDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-9-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-cyclopropyl-9-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
• Synonyms: 2-cyclopropyl-9-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.615391
• LogD (pH = 7.4): 0.31082994
• Log P: 3.3428488
• Molar Refractivity: 127.9682 cm^3
• Polarizability: 45.013634 Å^3
• Polar Surface Area: 24.3 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: 3.36
• LOG S: -3.82
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4