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

• ChemBase ID: 737333
• Molecular Formular: C15H17N7O
• Molecular Mass: 311.34178
• Monoisotopic Mass: 311.1494582
• SMILES: n12c(c(C(=O)Nc3n4c(nc3)CCCC4)cnc1cc(n2)C)N
• Canonical SMILES: Cc1nn2c(c1)ncc(c2N)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H17N7O/c1-9-6-12-17-7-10(14(16)22(12)20-9)15(23)19-13-8-18-11-4-2-3-5-21(11)13/h6-8H,2-5,16H2,1H3,(H,19,23)
• InChIKey: DPKAZIUYWAZREQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.809935
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.11238447
• LogD (pH = 7.4): 0.7473546
• Log P: 0.7757261
• Molar Refractivity: 96.8941 cm^3
• Polarizability: 31.246326 Å^3
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.37
• LOG S: -2.64
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 2