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

• ChemBase ID: 473423
• Molecular Formular: C16H18N6O
• Molecular Mass: 310.35372
• Monoisotopic Mass: 310.15420923
• SMILES: c12n(nc(c1)C(=O)Nc1n3c(nc1)CCCC3)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)cc(n2)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H18N6O/c1-10-7-11(2)22-14(18-10)8-12(20-22)16(23)19-15-9-17-13-5-3-4-6-21(13)15/h7-9H,3-6H2,1-2H3,(H,19,23)
• InChIKey: JSQDKWDVWVHRSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.677039
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7970908
• LogD (pH = 7.4): 1.4232287
• Log P: 1.4507726
• Molar Refractivity: 97.7181 cm^3
• Polarizability: 31.859581 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: 0.82
• LOG S: -2.16
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 2