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

• ChemBase ID: 793363
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(c2n(c3ccc(OCC4OCCC4)cc3)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: C1COC(C1)COc1ccc(cc1)n1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C20H23N5O2/c1-2-18(26-11-1)14-27-17-5-3-15(4-6-17)24-9-8-22-20(24)19-12-16-13-21-7-10-25(16)23-19/h3-6,8-9,12,18,21H,1-2,7,10-11,13-14H2
• InChIKey: WLIJUZFKQCDZRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(oxolan-2-ylmethoxy)phenyl]-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole
• IUPAC Traditional name: 1-[4-(oxolan-2-ylmethoxy)phenyl]-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazole
• Synonyms: 2-{1-[4-(tetrahydro-2-furanylmethoxy)phenyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.18982182
• LogD (pH = 7.4): 1.5757111
• Log P: 2.1426337
• Molar Refractivity: 133.5138 cm^3
• Polarizability: 40.583004 Å^3
• Polar Surface Area: 66.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.06
• LOG S: -1.76
• Polar Surface Area: 66.13 Å^2
• Rotatable Bonds: 5