3-[(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)oxy]pyridine

• ChemBase ID: 525742
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(C(=O)N2CCC(CC2)Oc2cnccc2)cn2c(nc(c2)C)cc1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C19H20N4O2/c1-14-12-23-13-15(4-5-18(23)21-14)19(24)22-9-6-16(7-10-22)25-17-3-2-8-20-11-17/h2-5,8,11-13,16H,6-7,9-10H2,1H3
• InChIKey: TVZZYTHAKQTYAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)oxy]pyridine
• IUPAC Traditional name: 3-[(1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)oxy]pyridine
• Synonyms: 2-methyl-6-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.095501944
• LogD (pH = 7.4): 0.6018528
• Log P: 0.6234508
• Molar Refractivity: 95.227 cm^3
• Polarizability: 35.74468 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.21
• LOG S: -2.69
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 3