4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-5-methyl-1-propyl-1H-pyrazole

• ChemBase ID: 749506
• Molecular Formular: C13H19N5
• Molecular Mass: 245.32346
• Monoisotopic Mass: 245.16404563
• SMILES: c1(C2c3nc[nH]c3CCN2)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C13H19N5/c1-3-6-18-9(2)10(7-17-18)12-13-11(4-5-14-12)15-8-16-13/h7-8,12,14H,3-6H2,1-2H3,(H,15,16)
• InChIKey: GXKPNNCHWBMASP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-5-methyl-1-propyl-1H-pyrazole
• IUPAC Traditional name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-5-methyl-1-propylpyrazole
• Synonyms: 4-(5-methyl-1-propyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942604
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7229988
• LogD (pH = 7.4): 0.49517736
• Log P: 0.6689658
• Molar Refractivity: 82.7197 cm^3
• Polarizability: 26.9861 Å^3
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.14
• LOG S: -1.42
• Polar Surface Area: 58.53 Å^2
• Rotatable Bonds: 3