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

• ChemBase ID: 668122
• Molecular Formular: C19H19N7O
• Molecular Mass: 361.40046
• Monoisotopic Mass: 361.16510826
• SMILES: n1(c(nc2c1ncc(C(=O)NCc1c(n3nccc3)cccc1)c2)N)CC
• Canonical SMILES: CCn1c(N)nc2c1ncc(c2)C(=O)NCc1ccccc1n1cccn1
• InChI: InChI=1S/C19H19N7O/c1-2-25-17-15(24-19(25)20)10-14(12-21-17)18(27)22-11-13-6-3-4-7-16(13)26-9-5-8-23-26/h3-10,12H,2,11H2,1H3,(H2,20,24)(H,22,27)
• InChIKey: FTZMGFOQCXVIDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.318413
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6939981
• LogD (pH = 7.4): 1.7292398
• Log P: 1.7297096
• Molar Refractivity: 103.5326 cm^3
• Polarizability: 39.170433 Å^3
• Polar Surface Area: 103.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.19
• LOG S: -3.23
• Polar Surface Area: 103.65 Å^2
• Rotatable Bonds: 5