1-(2-methoxy-5-phenylphenyl)-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole

• ChemBase ID: 673812
• Molecular Formular: C22H21N5O
• Molecular Mass: 371.43504
• Monoisotopic Mass: 371.17461032
• SMILES: c1(c2n(c3cc(ccc3OC)c3ccccc3)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: COc1ccc(cc1n1ccnc1c1nn2c(c1)CNCC2)c1ccccc1
• InChI: InChI=1S/C22H21N5O/c1-28-21-8-7-17(16-5-3-2-4-6-16)13-20(21)26-11-10-24-22(26)19-14-18-15-23-9-12-27(18)25-19/h2-8,10-11,13-14,23H,9,12,15H2,1H3
• InChIKey: VEGWGJSOYJMCFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxy-5-phenylphenyl)-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole
• IUPAC Traditional name: 1-(2-methoxy-5-phenylphenyl)-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazole
• Synonyms: 2-[1-(4-methoxy-3-biphenylyl)-1H-imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0408992
• LogD (pH = 7.4): 2.804393
• Log P: 3.37127
• Molar Refractivity: 140.3953 cm^3
• Polarizability: 44.282093 Å^3
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.89
• LOG S: -3.37
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 4