2-ethyl-4-methyl-5-[2-(1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1,3-oxazole

• ChemBase ID: 650944
• Molecular Formular: C16H18N6O2
• Molecular Mass: 326.35312
• Monoisotopic Mass: 326.14912385
• SMILES: c1(C(=O)N2Cc3nc([nH]c3CC2)c2c[nH]nc2)c(nc(o1)CC)C
• Canonical SMILES: CCc1nc(c(o1)C(=O)N1CCc2c(C1)nc([nH]2)c1c[nH]nc1)C
• InChI: InChI=1S/C16H18N6O2/c1-3-13-19-9(2)14(24-13)16(23)22-5-4-11-12(8-22)21-15(20-11)10-6-17-18-7-10/h6-7H,3-5,8H2,1-2H3,(H,17,18)(H,20,21)
• InChIKey: YFXRJPIZFIDWCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-methyl-5-[2-(1H-pyrazol-4-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1,3-oxazole
• IUPAC Traditional name: 2-ethyl-4-methyl-5-[2-(1H-pyrazol-4-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-1,3-oxazole
• Synonyms: 5-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-2-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.113482
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.27392024
• LogD (pH = 7.4): -0.165937
• Log P: -0.16428111
• Molar Refractivity: 98.3075 cm^3
• Polarizability: 32.852695 Å^3
• Polar Surface Area: 103.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.92
• LOG S: -2.09
• Polar Surface Area: 103.7 Å^2
• Rotatable Bonds: 3