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

• ChemBase ID: 447961
• Molecular Formular: C21H24FN5
• Molecular Mass: 365.4471632
• Monoisotopic Mass: 365.20157401
• SMILES: c1(c(n(nc1)C)C1CC1)CN1C(c2c([nH]cn2)CC1)c1c(c(F)ccc1)C
• Canonical SMILES: Fc1cccc(c1C)C1N(CCc2c1nc[nH]2)Cc1cnn(c1C1CC1)C
• InChI: InChI=1S/C21H24FN5/c1-13-16(4-3-5-17(13)22)21-19-18(23-12-24-19)8-9-27(21)11-15-10-25-26(2)20(15)14-6-7-14/h3-5,10,12,14,21H,6-9,11H2,1-2H3,(H,23,24)
• InChIKey: QVYKQANSUDTVQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.938817
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0618951
• LogD (pH = 7.4): 2.9199843
• Log P: 2.977049
• Molar Refractivity: 115.8054 cm^3
• Polarizability: 39.11101 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.95
• LOG S: -2.52
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 4