7-fluoro-2-methyl-4-[4-(pyridin-3-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]quinoline

• ChemBase ID: 598568
• Molecular Formular: C22H18FN5O
• Molecular Mass: 387.4096232
• Monoisotopic Mass: 387.14953844
• SMILES: N1(C(=O)c2c3c(nc(c2)C)cc(cc3)F)C(c2c([nH]cn2)CC1)c1cnccc1
• Canonical SMILES: Fc1ccc2c(c1)nc(cc2C(=O)N1CCc2c(C1c1cccnc1)nc[nH]2)C
• InChI: InChI=1S/C22H18FN5O/c1-13-9-17(16-5-4-15(23)10-19(16)27-13)22(29)28-8-6-18-20(26-12-25-18)21(28)14-3-2-7-24-11-14/h2-5,7,9-12,21H,6,8H2,1H3,(H,25,26)
• InChIKey: VMNQDKRQVWBFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2-methyl-4-[4-(pyridin-3-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]quinoline
• IUPAC Traditional name: 7-fluoro-2-methyl-4-[4-(pyridin-3-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]quinoline
• Synonyms: 7-fluoro-2-methyl-4-{[4-(3-pyridinyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.33188
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3373562
• LogD (pH = 7.4): 1.8281573
• Log P: 1.8403851
• Molar Refractivity: 106.2027 cm^3
• Polarizability: 41.08244 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.64
• LOG S: -1.27
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2