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

• ChemBase ID: 419937
• Molecular Formular: C15H15ClN6O
• Molecular Mass: 330.7722
• Monoisotopic Mass: 330.09958681
• SMILES: c12c(c(nn1cc(cn2)C)C(=O)Nc1n2c(nc1)CCCC2)Cl
• Canonical SMILES: Cc1cnc2n(c1)nc(c2Cl)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H15ClN6O/c1-9-6-18-14-12(16)13(20-22(14)8-9)15(23)19-11-7-17-10-4-2-3-5-21(10)11/h6-8H,2-5H2,1H3,(H,19,23)
• InChIKey: NTLGRBHNWNKKJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.896442
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5845311
• LogD (pH = 7.4): 2.208387
• Log P: 2.2373073
• Molar Refractivity: 97.8229 cm^3
• Polarizability: 32.083485 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: 0.19
• LOG S: -3.08
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 2