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

• ChemBase ID: 489374
• Molecular Formular: C18H18N6O
• Molecular Mass: 334.37512
• Monoisotopic Mass: 334.15420923
• SMILES: n12c(nc(cc1NCc1ccc(c3nc(on3)C)cc1)C)cc(n2)C
• Canonical SMILES: Cc1onc(n1)c1ccc(cc1)CNc1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C18H18N6O/c1-11-8-16(24-17(20-11)9-12(2)22-24)19-10-14-4-6-15(7-5-14)18-21-13(3)25-23-18/h4-9,19H,10H2,1-3H3
• InChIKey: HGQMMNMXRUYOQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7870162
• LogD (pH = 7.4): 2.7873967
• Log P: 2.7874017
• Molar Refractivity: 117.4842 cm^3
• Polarizability: 35.628487 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: 3.19
• LOG S: -4.36
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4