2-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-ol

• ChemBase ID: 716726
• Molecular Formular: C13H19N5O
• Molecular Mass: 261.32286
• Monoisotopic Mass: 261.15896025
• SMILES: c1(C2c3nc[nH]c3CCN2)c(nn(c1C)CCO)C
• Canonical SMILES: OCCn1nc(c(c1C)C1NCCc2c1nc[nH]2)C
• InChI: InChI=1S/C13H19N5O/c1-8-11(9(2)18(17-8)5-6-19)13-12-10(3-4-14-13)15-7-16-12/h7,13-14,19H,3-6H2,1-2H3,(H,15,16)
• InChIKey: GPIXBXDRWSFBHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-3,5-dimethylpyrazol-1-yl)ethanol
• Synonyms: 2-[3,5-dimethyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1H-pyrazol-1-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.940968
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.1952534
• LogD (pH = 7.4): -0.95430297
• Log P: -0.7690964
• Molar Refractivity: 84.3309 cm^3
• Polarizability: 27.541739 Å^3
• Polar Surface Area: 78.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.39
• LOG S: -0.22
• Polar Surface Area: 78.76 Å^2
• Rotatable Bonds: 3