2-(2-methylphenyl)-1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)pyrrolidine

• ChemBase ID: 856097
• Molecular Formular: C24H24N4
• Molecular Mass: 368.47416
• Monoisotopic Mass: 368.20009679
• SMILES: c12c(cnn1cc(cn2)CN1C(c2c(C)cccc2)CCC1)c1ccccc1
• Canonical SMILES: Cc1ccccc1C1CCCN1Cc1cnc2n(c1)ncc2c1ccccc1
• InChI: InChI=1S/C24H24N4/c1-18-8-5-6-11-21(18)23-12-7-13-27(23)16-19-14-25-24-22(15-26-28(24)17-19)20-9-3-2-4-10-20/h2-6,8-11,14-15,17,23H,7,12-13,16H2,1H3
• InChIKey: LKNWPKPFHKYCOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)-1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)pyrrolidine
• IUPAC Traditional name: 2-(2-methylphenyl)-1-({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)pyrrolidine
• Synonyms: 6-{[2-(2-methylphenyl)pyrrolidin-1-yl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8877534
• LogD (pH = 7.4): 3.5786448
• Log P: 4.9450536
• Molar Refractivity: 124.3175 cm^3
• Polarizability: 44.800922 Å^3
• Polar Surface Area: 33.43 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: 3.17
• LOG S: -3.59
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 4