N-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 658435
• Molecular Formular: C19H22N6
• Molecular Mass: 334.41818
• Monoisotopic Mass: 334.19059473
• SMILES: n12c(nc(cc1NCCc1nc3c(n1CC)cccc3)C)cc(n2)C
• Canonical SMILES: CCn1c(CCNc2cc(C)nc3n2nc(c3)C)nc2c1cccc2
• InChI: InChI=1S/C19H22N6/c1-4-24-16-8-6-5-7-15(16)22-17(24)9-10-20-18-11-13(2)21-19-12-14(3)23-25(18)19/h5-8,11-12,20H,4,9-10H2,1-3H3
• InChIKey: NLUCPHVLRFVBKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-ethyl-1H-1,3-benzodiazol-2-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(1-ethyl-1,3-benzodiazol-2-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-(1-ethyl-1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8714058
• LogD (pH = 7.4): 2.3661346
• Log P: 2.3791766
• Molar Refractivity: 109.5985 cm^3
• Polarizability: 38.172737 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.89
• LOG S: -6.07
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5