4-(4-ethyl-1H-pyrazol-5-yl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 835188
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1CCC(c2c(cn[nH]2)CC)CC1
• Canonical SMILES: CCc1cn[nH]c1C1CCN(CC1)C(=O)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C19H23N5O/c1-3-14-11-20-22-17(14)15-6-9-23(10-7-15)19(25)16-12-24-8-4-5-13(2)18(24)21-16/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3,(H,20,22)
• InChIKey: JNIUGOVXVLVWPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 4-(4-ethyl-2H-pyrazol-3-yl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: 2-{[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}-8-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.280215
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3240685
• LogD (pH = 7.4): 2.3321207
• Log P: 2.3322241
• Molar Refractivity: 99.5471 cm^3
• Polarizability: 36.379436 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.07
• LOG S: -3.43
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3