4-{5-[(4-methoxy-2,3-dimethylphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-1H-pyrazole

• ChemBase ID: 654675
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c1(nc2c([nH]1)CCN(C2)Cc1c(c(c(cc1)OC)C)C)c1c[nH]nc1
• Canonical SMILES: COc1ccc(c(c1C)C)CN1CCc2c(C1)nc([nH]2)c1c[nH]nc1
• InChI: InChI=1S/C19H23N5O/c1-12-13(2)18(25-3)5-4-14(12)10-24-7-6-16-17(11-24)23-19(22-16)15-8-20-21-9-15/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,20,21)(H,22,23)
• InChIKey: KFRVOAAMSPCWMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[(4-methoxy-2,3-dimethylphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-1H-pyrazole
• IUPAC Traditional name: 4-{5-[(4-methoxy-2,3-dimethylphenyl)methyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridin-2-yl}-1H-pyrazole
• Synonyms: 5-(4-methoxy-2,3-dimethylbenzyl)-2-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.576717
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.76137936
• LogD (pH = 7.4): 2.306638
• Log P: 2.5314314
• Molar Refractivity: 110.278 cm^3
• Polarizability: 37.94623 Å^3
• Polar Surface Area: 69.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.51
• LOG S: -2.8
• Polar Surface Area: 69.83 Å^2
• Rotatable Bonds: 4