4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide

• ChemBase ID: 510683
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(Cn2nc(cc2C)C)cc1
• Canonical SMILES: Cc1nn(c(c1)C)Cc1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H23N5O/c1-14-11-15(2)25(23-14)13-16-6-8-17(9-7-16)20(26)22-19-12-21-18-5-3-4-10-24(18)19/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,22,26)
• InChIKey: QIQNFEIZDSJGQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• IUPAC Traditional name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• Synonyms: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.082382
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8688927
• LogD (pH = 7.4): 2.508803
• Log P: 2.5375288
• Molar Refractivity: 113.8905 cm^3
• Polarizability: 37.91644 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -3.7
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 4