5-methyl-N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 865309
• Molecular Formular: C16H15N7O
• Molecular Mass: 321.3366
• Monoisotopic Mass: 321.13380814
• SMILES: c1(n2c(nc(c1)C)ccn2)NC(c1nc(no1)c1cnccc1)C
• Canonical SMILES: Cc1cc(NC(c2onc(n2)c2cccnc2)C)n2c(n1)ccn2
• InChI: InChI=1S/C16H15N7O/c1-10-8-14(23-13(19-10)5-7-18-23)20-11(2)16-21-15(22-24-16)12-4-3-6-17-9-12/h3-9,11,20H,1-2H3
• InChIKey: LJWYCRFQFJPPOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-{1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8299623
• LogD (pH = 7.4): 1.8357112
• Log P: 1.8357852
• Molar Refractivity: 110.116 cm^3
• Polarizability: 33.073338 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.17
• LOG S: -3.4
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 4