4-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1-methyl-1H-pyrazole

• ChemBase ID: 360179
• Molecular Formular: C17H15F2N5O
• Molecular Mass: 343.3307064
• Monoisotopic Mass: 343.12446657
• SMILES: c1(nc2c([nH]1)CCN(C(=O)c1cn(nc1)C)C2)c1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)c1nc2c([nH]1)CCN(C2)C(=O)c1cnn(c1)C
• InChI: InChI=1S/C17H15F2N5O/c1-23-8-10(7-20-23)17(25)24-5-4-14-15(9-24)22-16(21-14)12-3-2-11(18)6-13(12)19/h2-3,6-8H,4-5,9H2,1H3,(H,21,22)
• InChIKey: VMSRPPODBMKHNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1-methyl-1H-pyrazole
• IUPAC Traditional name: 4-[2-(2,4-difluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1-methylpyrazole
• Synonyms: 2-(2,4-difluorophenyl)-5-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.2719965
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3095796
• LogD (pH = 7.4): 1.4261593
• Log P: 1.4279356
• Molar Refractivity: 109.7103 cm^3
• Polarizability: 32.627472 Å^3
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.24
• LOG S: -3.22
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 2