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

• ChemBase ID: 394188
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: n1(c(nc2c1nccc2)CCCC(=O)NC)C(COC)C
• Canonical SMILES: COCC(n1c(CCCC(=O)NC)nc2c1nccc2)C
• InChI: InChI=1S/C15H22N4O2/c1-11(10-21-3)19-13(7-4-8-14(20)16-2)18-12-6-5-9-17-15(12)19/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,16,20)
• InChIKey: WPSNBPPDLAIWEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.752326
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8115856
• LogD (pH = 7.4): 0.8117961
• Log P: 0.8117988
• Molar Refractivity: 79.7771 cm^3
• Polarizability: 31.486706 Å^3
• Polar Surface Area: 69.04 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: 0.24
• LOG S: -2.09
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 7