{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}({imidazo[1,2-a]pyridin-2-ylmethyl})amine

• ChemBase ID: 578656
• Molecular Formular: C26H25N5
• Molecular Mass: 407.5102
• Monoisotopic Mass: 407.21099583
• SMILES: n1(nc(c(c1)CNCc1nc2n(c1)cccc2)c1ccccc1)c1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(c(c1)n1nc(c(c1)CNCc1nc2n(c1)cccc2)c1ccccc1)C
• InChI: InChI=1S/C26H25N5/c1-19-11-12-20(2)24(14-19)31-17-22(26(29-31)21-8-4-3-5-9-21)15-27-16-23-18-30-13-7-6-10-25(30)28-23/h3-14,17-18,27H,15-16H2,1-2H3
• InChIKey: APTJBGMPRIDSEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}({imidazo[1,2-a]pyridin-2-ylmethyl})amine
• IUPAC Traditional name: {[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl}({imidazo[1,2-a]pyridin-2-ylmethyl})amine
• Synonyms: 1-[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.942816
• LogD (pH = 7.4): 4.657756
• Log P: 5.2695804
• Molar Refractivity: 126.4831 cm^3
• Polarizability: 49.77287 Å^3
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.58
• LOG S: -6.83
• Polar Surface Area: 47.15 Å^2
• Rotatable Bonds: 6