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

• ChemBase ID: 818247
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: n1(c(nc2c1ncc(C(=O)N(CCOC)CCC)c2)N)CC
• Canonical SMILES: COCCN(C(=O)c1cnc2c(c1)nc(n2CC)N)CCC
• InChI: InChI=1S/C15H23N5O2/c1-4-6-19(7-8-22-3)14(21)11-9-12-13(17-10-11)20(5-2)15(16)18-12/h9-10H,4-8H2,1-3H3,(H2,16,18)
• InChIKey: MOOASZZDSLPSJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.939845
• LogD (pH = 7.4): 0.9749806
• Log P: 0.97544897
• Molar Refractivity: 85.7711 cm^3
• Polarizability: 32.417885 Å^3
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.13
• LOG S: -3.02
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 7