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

• ChemBase ID: 862883
• Molecular Formular: C14H15N5O
• Molecular Mass: 269.3018
• Monoisotopic Mass: 269.12766013
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCc1n[nH]c(c1)C
• Canonical SMILES: Cc1[nH]nc(c1)CNC(=O)c1nc2n(c1)cc(cc2)C
• InChI: InChI=1S/C14H15N5O/c1-9-3-4-13-16-12(8-19(13)7-9)14(20)15-6-11-5-10(2)17-18-11/h3-5,7-8H,6H2,1-2H3,(H,15,20)(H,17,18)
• InChIKey: BDQYATLTMPEQIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.183886
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0336057
• LogD (pH = 7.4): 1.0427103
• Log P: 1.0428278
• Molar Refractivity: 77.5082 cm^3
• Polarizability: 27.91006 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.51
• LOG S: -2.45
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 3