2-amino-3-ethyl-N-(2-phenoxyethyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 690524
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: n1(c(nc2c1ncc(C(=O)NCCOc1ccccc1)c2)N)CC
• Canonical SMILES: CCn1c(N)nc2c1ncc(c2)C(=O)NCCOc1ccccc1
• InChI: InChI=1S/C17H19N5O2/c1-2-22-15-14(21-17(22)18)10-12(11-20-15)16(23)19-8-9-24-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9H2,1H3,(H2,18,21)(H,19,23)
• InChIKey: TYNMLEVHFWVOOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.341871
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.527808
• LogD (pH = 7.4): 1.5629984
• Log P: 1.5634676
• Molar Refractivity: 91.1105 cm^3
• Polarizability: 34.621265 Å^3
• Polar Surface Area: 95.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.12
• LOG S: -3.14
• Polar Surface Area: 95.06 Å^2
• Rotatable Bonds: 6