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

• ChemBase ID: 697323
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: n1(c(nc2c1nccc2)CCCC(=O)N1CCCCC1)C(COC)C
• Canonical SMILES: COCC(n1c(CCCC(=O)N2CCCCC2)nc2c1nccc2)C
• InChI: InChI=1S/C19H28N4O2/c1-15(14-25-2)23-17(21-16-8-7-11-20-19(16)23)9-6-10-18(24)22-12-4-3-5-13-22/h7-8,11,15H,3-6,9-10,12-14H2,1-2H3
• InChIKey: WOTRIOOEMFCKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-methoxypropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-1-(piperidin-1-yl)butan-1-one
• IUPAC Traditional name: 4-[3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-1-(piperidin-1-yl)butan-1-one
• Synonyms: 3-(2-methoxy-1-methylethyl)-2-(4-oxo-4-piperidin-1-ylbutyl)-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8856276
• LogD (pH = 7.4): 1.8858383
• Log P: 1.885841
• Molar Refractivity: 96.8158 cm^3
• Polarizability: 38.120995 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.02
• LOG S: -3.82
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 7