2-(2-chlorophenyl)-3-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 378129
• Molecular Formular: C20H19ClN6O
• Molecular Mass: 394.85746
• Monoisotopic Mass: 394.13088694
• SMILES: c1(n(c2c(n1)cc(C(=O)NCCCn1nccc1)cn2)C)c1c(Cl)cccc1
• Canonical SMILES: O=C(c1cnc2c(c1)nc(n2C)c1ccccc1Cl)NCCCn1cccn1
• InChI: InChI=1S/C20H19ClN6O/c1-26-18(15-6-2-3-7-16(15)21)25-17-12-14(13-23-19(17)26)20(28)22-8-4-10-27-11-5-9-24-27/h2-3,5-7,9,11-13H,4,8,10H2,1H3,(H,22,28)
• InChIKey: ICCVEWZYARNKGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-3-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: 2-(2-chlorophenyl)-3-methyl-N-[3-(pyrazol-1-yl)propyl]imidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: 2-(2-chlorophenyl)-3-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.41744
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6254478
• LogD (pH = 7.4): 2.6256392
• Log P: 2.6256416
• Molar Refractivity: 129.4002 cm^3
• Polarizability: 41.76193 Å^3
• Polar Surface Area: 77.63 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: 2.23
• LOG S: -4.75
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 6