6-chloro-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 539153
• Molecular Formular: C14H14ClN5O2
• Molecular Mass: 319.74626
• Monoisotopic Mass: 319.08360239
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)NCc1n[nH]c(c1)COC
• Canonical SMILES: COCc1[nH]nc(c1)CNC(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C14H14ClN5O2/c1-22-8-11-4-10(18-19-11)5-16-14(21)12-7-20-6-9(15)2-3-13(20)17-12/h2-4,6-7H,5,8H2,1H3,(H,16,21)(H,18,19)
• InChIKey: ZXQSMENORZXGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.778017
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.72533846
• LogD (pH = 7.4): 0.72959507
• Log P: 0.72966766
• Molar Refractivity: 83.5667 cm^3
• Polarizability: 30.709616 Å^3
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.97
• LOG S: -2.36
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 5