2,3-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 735295
• Molecular Formular: C19H20N6O
• Molecular Mass: 348.4017
• Monoisotopic Mass: 348.16985929
• SMILES: n12c(nc(cc1NC(c1nnc(o1)C)C)c1ccccc1)c(c(n2)C)C
• Canonical SMILES: Cc1nnc(o1)C(Nc1cc(nc2n1nc(c2C)C)c1ccccc1)C
• InChI: InChI=1S/C19H20N6O/c1-11-12(2)24-25-17(20-13(3)19-23-22-14(4)26-19)10-16(21-18(11)25)15-8-6-5-7-9-15/h5-10,13,20H,1-4H3
• InChIKey: XJLHGUCSRYCSIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,3-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,3-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3635461
• LogD (pH = 7.4): 2.3638139
• Log P: 2.3638172
• Molar Refractivity: 111.4174 cm^3
• Polarizability: 38.137764 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.01
• LOG S: -4.31
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4