3-({1-[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]propan-2-yl}oxy)pyridine

• ChemBase ID: 846455
• Molecular Formular: C22H23N5O
• Molecular Mass: 373.45092
• Monoisotopic Mass: 373.19026038
• SMILES: c1(c2n(cnc2c2ccccc2)CC(Oc2cnccc2)C)cn(nc1)CC
• Canonical SMILES: CCn1ncc(c1)c1n(cnc1c1ccccc1)CC(Oc1cccnc1)C
• InChI: InChI=1S/C22H23N5O/c1-3-27-15-19(12-25-27)22-21(18-8-5-4-6-9-18)24-16-26(22)14-17(2)28-20-10-7-11-23-13-20/h4-13,15-17H,3,14H2,1-2H3
• InChIKey: HFSUFYBPKWMOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({1-[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]propan-2-yl}oxy)pyridine
• IUPAC Traditional name: 3-({1-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]propan-2-yl}oxy)pyridine
• Synonyms: 3-{2-[5-(1-ethyl-1H-pyrazol-4-yl)-4-phenyl-1H-imidazol-1-yl]-1-methylethoxy}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1062357
• LogD (pH = 7.4): 3.3034217
• Log P: 3.3063743
• Molar Refractivity: 120.1535 cm^3
• Polarizability: 44.332428 Å^3
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.49
• LOG S: -4.9
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 7