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

• ChemBase ID: 727583
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(n2nc(cc2C)C)cc1
• Canonical SMILES: Cc1nn(c(c1)C)c1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H21N5O/c1-13-11-14(2)24(22-13)16-8-6-15(7-9-16)19(25)21-18-12-20-17-5-3-4-10-23(17)18/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,25)
• InChIKey: LRWCWCJLBRWHRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.21784
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8037584
• LogD (pH = 7.4): 2.4422982
• Log P: 2.471014
• Molar Refractivity: 98.7362 cm^3
• Polarizability: 36.831997 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.63
• LOG S: -3.89
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3