N-[2-(dimethylamino)-2-(pyridin-2-yl)ethyl]-2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 779928
• Molecular Formular: C19H26N6
• Molecular Mass: 338.44994
• Monoisotopic Mass: 338.22189486
• SMILES: n12c(nc(cc1NCC(c1ncccc1)N(C)C)C(C)C)cc(n2)C
• Canonical SMILES: CN(C(c1ccccn1)CNc1cc(nc2n1nc(c2)C)C(C)C)C
• InChI: InChI=1S/C19H26N6/c1-13(2)16-11-18(25-19(22-16)10-14(3)23-25)21-12-17(24(4)5)15-8-6-7-9-20-15/h6-11,13,17,21H,12H2,1-5H3
• InChIKey: LAPAXZOLAXRSMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-2-(pyridin-2-yl)ethyl]-2-methyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)-2-(pyridin-2-yl)ethyl]-5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N~2~-(5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N~1~,N~1~-dimethyl-1-(2-pyridinyl)-1,2-ethanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.67099655
• LogD (pH = 7.4): 2.2522554
• Log P: 2.5401776
• Molar Refractivity: 111.303 cm^3
• Polarizability: 38.316483 Å^3
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.73
• LOG S: -1.69
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 6