5-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)-1H-indazole

• ChemBase ID: 844113
• Molecular Formular: C16H15N7
• Molecular Mass: 305.3372
• Monoisotopic Mass: 305.13889352
• SMILES: c1(c2n(c3cc4c([nH]nc4)cc3)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: N1CCn2c(C1)cc(n2)c1nccn1c1ccc2c(c1)cn[nH]2
• InChI: InChI=1S/C16H15N7/c1-2-14-11(9-19-20-14)7-12(1)22-5-4-18-16(22)15-8-13-10-17-3-6-23(13)21-15/h1-2,4-5,7-9,17H,3,6,10H2,(H,19,20)
• InChIKey: ZNVNRHANTNEDBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.468051
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1276813
• LogD (pH = 7.4): 0.63785493
• Log P: 1.2047778
• Molar Refractivity: 118.811 cm^3
• Polarizability: 35.07161 Å^3
• Polar Surface Area: 76.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.92
• LOG S: -1.21
• Polar Surface Area: 76.35 Å^2
• Rotatable Bonds: 2