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

• ChemBase ID: 752497
• Molecular Formular: C20H25N5O
• Molecular Mass: 351.4454
• Monoisotopic Mass: 351.20591045
• SMILES: c12c([nH]nc1CCC)CCN(C2)Cc1n(c2ccc(cc2)OC)ccn1
• Canonical SMILES: CCCc1n[nH]c2c1CN(CC2)Cc1nccn1c1ccc(cc1)OC
• InChI: InChI=1S/C20H25N5O/c1-3-4-18-17-13-24(11-9-19(17)23-22-18)14-20-21-10-12-25(20)15-5-7-16(26-2)8-6-15/h5-8,10,12H,3-4,9,11,13-14H2,1-2H3,(H,22,23)
• InChIKey: QFMXNCUGVPJEAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.776695
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3400013
• LogD (pH = 7.4): 2.5402904
• Log P: 2.6296222
• Molar Refractivity: 113.7562 cm^3
• Polarizability: 39.858437 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: 3.0
• LOG S: -3.32
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 6