methyl({[5-(morpholine-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl})(1,2-oxazol-3-ylmethyl)amine

• ChemBase ID: 644909
• Molecular Formular: C17H24N6O3
• Molecular Mass: 360.41086
• Monoisotopic Mass: 360.19098866
• SMILES: c12n(nc(c1)CN(Cc1nocc1)C)CCN(C(=O)N1CCOCC1)C2
• Canonical SMILES: CN(Cc1nocc1)Cc1nn2c(c1)CN(CC2)C(=O)N1CCOCC1
• InChI: InChI=1S/C17H24N6O3/c1-20(11-14-2-7-26-19-14)12-15-10-16-13-22(3-4-23(16)18-15)17(24)21-5-8-25-9-6-21/h2,7,10H,3-6,8-9,11-13H2,1H3
• InChIKey: SNBMGSCHENWOHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(morpholine-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl})(1,2-oxazol-3-ylmethyl)amine
• IUPAC Traditional name: methyl({[5-(morpholine-4-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl})(1,2-oxazol-3-ylmethyl)amine
• Synonyms: (3-isoxazolylmethyl)methyl{[5-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.77425855
• LogD (pH = 7.4): -0.596276
• Log P: -0.59346163
• Molar Refractivity: 106.7813 cm^3
• Polarizability: 36.147556 Å^3
• Polar Surface Area: 79.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.32
• LOG S: -2.01
• Polar Surface Area: 79.87 Å^2
• Rotatable Bonds: 4