5-(methoxymethyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 638251
• Molecular Formular: C18H18N6O2
• Molecular Mass: 350.37452
• Monoisotopic Mass: 350.14912385
• SMILES: n12c(cc(nc1ccn2)COC)N(Cc1oc(nn1)c1ccccc1)C
• Canonical SMILES: COCc1cc(N(Cc2nnc(o2)c2ccccc2)C)n2c(n1)ccn2
• InChI: InChI=1S/C18H18N6O2/c1-23(11-16-21-22-18(26-16)13-6-4-3-5-7-13)17-10-14(12-25-2)20-15-8-9-19-24(15)17/h3-10H,11-12H2,1-2H3
• InChIKey: OZPOXUYHEAYPQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6113715
• LogD (pH = 7.4): 1.6114053
• Log P: 1.6114056
• Molar Refractivity: 118.4672 cm^3
• Polarizability: 36.5686 Å^3
• Polar Surface Area: 81.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.71
• LOG S: -2.36
• Polar Surface Area: 81.58 Å^2
• Rotatable Bonds: 6