5-{[3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1-(2-methoxyethyl)-1H-imidazole

• ChemBase ID: 773028
• Molecular Formular: C19H22ClN5O
• Molecular Mass: 371.86388
• Monoisotopic Mass: 371.15128803
• SMILES: c12c(n[nH]c1CCN(C2)Cc1n(cnc1)CCOC)c1ccc(cc1)Cl
• Canonical SMILES: COCCn1cncc1CN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H22ClN5O/c1-26-9-8-25-13-21-10-16(25)11-24-7-6-18-17(12-24)19(23-22-18)14-2-4-15(20)5-3-14/h2-5,10,13H,6-9,11-12H2,1H3,(H,22,23)
• InChIKey: RZGBGRRZXYZVCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1-(2-methoxyethyl)-1H-imidazole
• IUPAC Traditional name: 5-{[3-(4-chlorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1-(2-methoxyethyl)imidazole
• Synonyms: 3-(4-chlorophenyl)-5-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.390895
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2803064
• LogD (pH = 7.4): 2.0559912
• Log P: 2.28984
• Molar Refractivity: 104.5397 cm^3
• Polarizability: 40.567493 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.45
• LOG S: -2.14
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 6