2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 571709
• Molecular Formular: C17H30N4O
• Molecular Mass: 306.4463
• Monoisotopic Mass: 306.2419616
• SMILES: c1(c(n(nc1)C)C)CN1CC2(CN(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1cnn(c1C)C
• InChI: InChI=1S/C17H30N4O/c1-15-16(11-18-19(15)2)12-21-8-6-17(14-21)5-4-7-20(13-17)9-10-22-3/h11H,4-10,12-14H2,1-3H3
• InChIKey: ORELIGGPVYBVFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[(1,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.078027
• LogD (pH = 7.4): -1.3422077
• Log P: 1.0428708
• Molar Refractivity: 102.4789 cm^3
• Polarizability: 35.042583 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.42
• LOG S: -0.7
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 4