4-[3-(1-methoxypropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]butanamide

• ChemBase ID: 626051
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: n1(c(nc2c1nccc2)CCCC(=O)N)C(COC)C
• Canonical SMILES: COCC(n1c(CCCC(=O)N)nc2c1nccc2)C
• InChI: InChI=1S/C14H20N4O2/c1-10(9-20-2)18-13(7-3-6-12(15)19)17-11-5-4-8-16-14(11)18/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,15,19)
• InChIKey: DCOQWAMLXOCJKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-methoxypropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]butanamide
• IUPAC Traditional name: 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
• Synonyms: 4-[3-(2-methoxy-1-methylethyl)-3H-imidazo[4,5-b]pyridin-2-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.137959
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5879095
• LogD (pH = 7.4): 0.58812004
• Log P: 0.5881227
• Molar Refractivity: 74.8804 cm^3
• Polarizability: 29.647892 Å^3
• Polar Surface Area: 83.03 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: 0.05
• LOG S: -1.59
• Polar Surface Area: 83.03 Å^2
• Rotatable Bonds: 7