4-{2-ethyl-3H-imidazo[4,5-b]pyridin-6-yl}-3,5-dimethyl-1H-pyrazole

• ChemBase ID: 548895
• Molecular Formular: C13H15N5
• Molecular Mass: 241.2917
• Monoisotopic Mass: 241.13274551
• SMILES: c1(c2cc3nc([nH]c3nc2)CC)c([nH]nc1C)C
• Canonical SMILES: CCc1nc2c([nH]1)ncc(c2)c1c(C)n[nH]c1C
• InChI: InChI=1S/C13H15N5/c1-4-11-15-10-5-9(6-14-13(10)16-11)12-7(2)17-18-8(12)3/h5-6H,4H2,1-3H3,(H,17,18)(H,14,15,16)
• InChIKey: SUULBHUIJHOLOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-ethyl-3H-imidazo[4,5-b]pyridin-6-yl}-3,5-dimethyl-1H-pyrazole
• IUPAC Traditional name: 4-{2-ethyl-3H-imidazo[4,5-b]pyridin-6-yl}-3,5-dimethyl-1H-pyrazole
• Synonyms: 6-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethyl-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.093827
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.511625
• LogD (pH = 7.4): 1.5151815
• Log P: 1.5152351
• Molar Refractivity: 70.3966 cm^3
• Polarizability: 27.994562 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.35
• LOG S: -2.97
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 2