4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole

• ChemBase ID: 760029
• Molecular Formular: C22H21N5O
• Molecular Mass: 371.43504
• Monoisotopic Mass: 371.17461032
• SMILES: c1(c(nn(c1)c1ccccc1)c1ccc(cc1)OC)C1c2nc[nH]c2CCN1
• Canonical SMILES: COc1ccc(cc1)c1nn(cc1C1NCCc2c1nc[nH]2)c1ccccc1
• InChI: InChI=1S/C22H21N5O/c1-28-17-9-7-15(8-10-17)20-18(13-27(26-20)16-5-3-2-4-6-16)21-22-19(11-12-23-21)24-14-25-22/h2-10,13-14,21,23H,11-12H2,1H3,(H,24,25)
• InChIKey: ZVEKKRAMWRHODS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole
• IUPAC Traditional name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}-3-(4-methoxyphenyl)-1-phenylpyrazole
• Synonyms: 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942449
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4593801
• LogD (pH = 7.4): 2.8348112
• Log P: 3.123437
• Molar Refractivity: 108.9831 cm^3
• Polarizability: 43.565678 Å^3
• Polar Surface Area: 67.76 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: 2.59
• LOG S: -3.12
• Polar Surface Area: 67.76 Å^2
• Rotatable Bonds: 4