4-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-2-[(3-methoxyphenyl)methyl]morpholine

• ChemBase ID: 834261
• Molecular Formular: C21H24N4O3
• Molecular Mass: 380.44026
• Monoisotopic Mass: 380.18484065
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N1CC(OCC1)Cc1cc(OC)ccc1)C
• Canonical SMILES: COc1cccc(c1)CC1OCCN(C1)C(=O)c1cc(C)n2c(n1)cc(n2)C
• InChI: InChI=1S/C21H24N4O3/c1-14-9-20-22-19(10-15(2)25(20)23-14)21(26)24-7-8-28-18(13-24)12-16-5-4-6-17(11-16)27-3/h4-6,9-11,18H,7-8,12-13H2,1-3H3
• InChIKey: CMODHNUAIUGMGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-2-[(3-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-2-[(3-methoxyphenyl)methyl]morpholine
• Synonyms: 5-{[2-(3-methoxybenzyl)-4-morpholinyl]carbonyl}-2,7-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3642879
• LogD (pH = 7.4): 2.364474
• Log P: 2.3644764
• Molar Refractivity: 116.5901 cm^3
• Polarizability: 40.050533 Å^3
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.36
• LOG S: -3.13
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 4