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

• ChemBase ID: 598268
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCc1n[nH]c(c1)COC
• Canonical SMILES: COCc1[nH]nc(c1)CNC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C20H19N5O2/c1-27-13-17-9-16(23-24-17)10-21-20(26)15-7-8-19-22-18(12-25(19)11-15)14-5-3-2-4-6-14/h2-9,11-12H,10,13H2,1H3,(H,21,26)(H,23,24)
• InChIKey: KNZXWPAMIBLNJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.776544
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5824196
• LogD (pH = 7.4): 1.7697831
• Log P: 1.7728484
• Molar Refractivity: 103.8981 cm^3
• Polarizability: 39.679985 Å^3
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.78
• LOG S: -3.35
• Polar Surface Area: 84.31 Å^2
• Rotatable Bonds: 6