2-amino-3-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 341427
• Molecular Formular: C19H18N6O2
• Molecular Mass: 362.38522
• Monoisotopic Mass: 362.14912385
• SMILES: n1(c(nc2c1ncc(C(=O)NCc1nc(oc1)c1ccccc1)c2)N)CC
• Canonical SMILES: CCn1c(N)nc2c1ncc(c2)C(=O)NCc1coc(n1)c1ccccc1
• InChI: InChI=1S/C19H18N6O2/c1-2-25-16-15(24-19(25)20)8-13(9-21-16)17(26)22-10-14-11-27-18(23-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,24)(H,22,26)
• InChIKey: ZTHBXLWZGURZEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: 2-amino-3-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: 2-amino-3-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.092384
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6563706
• LogD (pH = 7.4): 1.6915555
• Log P: 1.6920247
• Molar Refractivity: 110.4597 cm^3
• Polarizability: 38.354816 Å^3
• Polar Surface Area: 111.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.43
• LOG S: -3.37
• Polar Surface Area: 111.86 Å^2
• Rotatable Bonds: 5