N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 865291
• Molecular Formular: C16H19N5O
• Molecular Mass: 297.35496
• Monoisotopic Mass: 297.15896025
• SMILES: c12n(c(cn1)CNC(=O)C(n1nccc1)CC)cccc2C
• Canonical SMILES: CCC(n1cccn1)C(=O)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C16H19N5O/c1-3-14(21-9-5-7-19-21)16(22)18-11-13-10-17-15-12(2)6-4-8-20(13)15/h4-10,14H,3,11H2,1-2H3,(H,18,22)
• InChIKey: RXXDEHGQIIEBNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-(pyrazol-1-yl)butanamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.444261
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5684818
• LogD (pH = 7.4): 1.2872245
• Log P: 1.3313085
• Molar Refractivity: 96.1925 cm^3
• Polarizability: 31.86755 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.4
• LOG S: -2.56
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5