N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 320553
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCc1nc(no1)C1CCCCC1)C
• Canonical SMILES: Cc1cc(NCc2onc(n2)C2CCCCC2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C18H24N6O/c1-11-9-15(24-18(20-11)12(2)13(3)22-24)19-10-16-21-17(23-25-16)14-7-5-4-6-8-14/h9,14,19H,4-8,10H2,1-3H3
• InChIKey: CNLMULPUVFIRJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.3778415
• LogD (pH = 7.4): 3.3781621
• Log P: 3.3781664
• Molar Refractivity: 107.8272 cm^3
• Polarizability: 35.61609 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: 3.36
• LOG S: -4.55
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4