N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}morpholine-2-carboxamide

• ChemBase ID: 690282
• Molecular Formular: C16H27N5O2
• Molecular Mass: 321.41788
• Monoisotopic Mass: 321.21647513
• SMILES: n12c(cc(n1)CNC(=O)C1OCCNC1)CN(CC2)CC(C)C
• Canonical SMILES: CC(CN1CCn2c(C1)cc(n2)CNC(=O)C1CNCCO1)C
• InChI: InChI=1S/C16H27N5O2/c1-12(2)10-20-4-5-21-14(11-20)7-13(19-21)8-18-16(22)15-9-17-3-6-23-15/h7,12,15,17H,3-6,8-11H2,1-2H3,(H,18,22)
• InChIKey: UWXXMHPYWZDESX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(2-methylpropyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}morpholine-2-carboxamide
• IUPAC Traditional name: N-{[5-(2-methylpropyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]methyl}morpholine-2-carboxamide
• Synonyms: N-[(5-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.266863
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.838109
• LogD (pH = 7.4): -1.373342
• Log P: -0.13672468
• Molar Refractivity: 99.5059 cm^3
• Polarizability: 34.500336 Å^3
• Polar Surface Area: 71.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.36
• LOG S: -1.69
• Polar Surface Area: 71.42 Å^2
• Rotatable Bonds: 5