4-(3-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-2,2-dimethylpropyl)morpholine

• ChemBase ID: 631111
• Molecular Formular: C22H32N4O
• Molecular Mass: 368.51568
• Monoisotopic Mass: 368.25761166
• SMILES: n12c(cc(n1)Cc1ccccc1)CN(CC(CN1CCOCC1)(C)C)CC2
• Canonical SMILES: CC(CN1CCOCC1)(CN1CCn2c(C1)cc(n2)Cc1ccccc1)C
• InChI: InChI=1S/C22H32N4O/c1-22(2,17-24-10-12-27-13-11-24)18-25-8-9-26-21(16-25)15-20(23-26)14-19-6-4-3-5-7-19/h3-7,15H,8-14,16-18H2,1-2H3
• InChIKey: MZTNLXIWLRLHNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-2,2-dimethylpropyl)morpholine
• IUPAC Traditional name: 4-(3-{2-benzyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-2,2-dimethylpropyl)morpholine
• Synonyms: 2-benzyl-5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.29971257
• LogD (pH = 7.4): 2.3036165
• Log P: 2.8884678
• Molar Refractivity: 121.4443 cm^3
• Polarizability: 42.80568 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.41
• LOG S: -2.94
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 6