2-methyl-7-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-2,7-diazaspiro[4.4]nonane

• ChemBase ID: 392469
• Molecular Formular: C20H23N5
• Molecular Mass: 333.43012
• Monoisotopic Mass: 333.19534576
• SMILES: c1(n2c(nc(c1)c1ccccc1)ccn2)N1CC2(CN(CC2)C)CC1
• Canonical SMILES: CN1CCC2(C1)CCN(C2)c1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C20H23N5/c1-23-11-8-20(14-23)9-12-24(15-20)19-13-17(16-5-3-2-4-6-16)22-18-7-10-21-25(18)19/h2-7,10,13H,8-9,11-12,14-15H2,1H3
• InChIKey: NEJVBUZQTHSGGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-7-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-2,7-diazaspiro[4.4]nonane
• IUPAC Traditional name: 2-methyl-7-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-2,7-diazaspiro[4.4]nonane
• Synonyms: 7-(7-methyl-2,7-diazaspiro[4.4]non-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.25367594
• LogD (pH = 7.4): 1.2993593
• Log P: 2.9865968
• Molar Refractivity: 110.4003 cm^3
• Polarizability: 39.312862 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.58
• LOG S: -2.83
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 2