{5-[1-(1H-indazol-6-yl)-1H-imidazol-2-yl]furan-2-yl}methanol

• ChemBase ID: 487935
• Molecular Formular: C15H12N4O2
• Molecular Mass: 280.28138
• Monoisotopic Mass: 280.09602564
• SMILES: c1(n(c2cc3[nH]ncc3cc2)ccn1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1nccn1c1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C15H12N4O2/c20-9-12-3-4-14(21-12)15-16-5-6-19(15)11-2-1-10-8-17-18-13(10)7-11/h1-8,20H,9H2,(H,17,18)
• InChIKey: LXHKEDAJKFOHRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[1-(1H-indazol-6-yl)-1H-imidazol-2-yl]furan-2-yl}methanol
• IUPAC Traditional name: {5-[1-(1H-indazol-6-yl)imidazol-2-yl]furan-2-yl}methanol
• Synonyms: {5-[1-(1H-indazol-6-yl)-1H-imidazol-2-yl]-2-furyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.026551
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2526805
• LogD (pH = 7.4): 1.2965356
• Log P: 1.2971405
• Molar Refractivity: 98.2074 cm^3
• Polarizability: 31.329569 Å^3
• Polar Surface Area: 79.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.63
• LOG S: -2.64
• Polar Surface Area: 79.87 Å^2
• Rotatable Bonds: 3