N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 513041
• Molecular Formular: C17H20N6O
• Molecular Mass: 324.3803
• Monoisotopic Mass: 324.16985929
• SMILES: c12n(nc(c1C(=O)Nc1n3c(nc1)CCCC3)C)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(c(n2)C)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H20N6O/c1-10-8-11(2)23-16(19-10)15(12(3)21-23)17(24)20-14-9-18-13-6-4-5-7-22(13)14/h8-9H,4-7H2,1-3H3,(H,20,24)
• InChIKey: XQTGMJQHXASGEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 2,5,7-trimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.707105
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.53402567
• LogD (pH = 7.4): 1.1677586
• Log P: 1.1962925
• Molar Refractivity: 102.6816 cm^3
• Polarizability: 33.616985 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.52
• LOG S: -2.01
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 2