N-ethyl-6-(2-hydroxyethyl)-N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 560382
• Molecular Formular: C21H24N6O2
• Molecular Mass: 392.45426
• Monoisotopic Mass: 392.19607404
• SMILES: c1(c2n(nc1)cc(cn2)CCO)C(=O)N(CCc1nc2c([nH]1)ccc(c2)C)CC
• Canonical SMILES: OCCc1cnc2n(c1)ncc2C(=O)N(CCc1nc2c([nH]1)ccc(c2)C)CC
• InChI: InChI=1S/C21H24N6O2/c1-3-26(8-6-19-24-17-5-4-14(2)10-18(17)25-19)21(29)16-12-23-27-13-15(7-9-28)11-22-20(16)27/h4-5,10-13,28H,3,6-9H2,1-2H3,(H,24,25)
• InChIKey: UZOXJUBFGWWFIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-(2-hydroxyethyl)-N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-ethyl-6-(2-hydroxyethyl)-N-[2-(5-methyl-1H-1,3-benzodiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-ethyl-6-(2-hydroxyethyl)-N-[2-(5-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.075819
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2234055
• LogD (pH = 7.4): 1.6532506
• Log P: 1.6634163
• Molar Refractivity: 121.5556 cm^3
• Polarizability: 42.48895 Å^3
• Polar Surface Area: 99.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.15
• LOG S: -4.15
• Polar Surface Area: 99.41 Å^2
• Rotatable Bonds: 7