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

• ChemBase ID: 445936
• Molecular Formular: C19H26N6O
• Molecular Mass: 354.44934
• Monoisotopic Mass: 354.21680948
• SMILES: n12c(cc(n1)CNC(=O)c1cnc(nc1)C1CC1)CN(CC2)CC(C)C
• Canonical SMILES: CC(CN1CCn2c(C1)cc(n2)CNC(=O)c1cnc(nc1)C1CC1)C
• InChI: InChI=1S/C19H26N6O/c1-13(2)11-24-5-6-25-17(12-24)7-16(23-25)10-22-19(26)15-8-20-18(21-9-15)14-3-4-14/h7-9,13-14H,3-6,10-12H2,1-2H3,(H,22,26)
• InChIKey: UULIQPJMCJTPDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.972771
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1511815
• LogD (pH = 7.4): 0.62923616
• Log P: 1.368834
• Molar Refractivity: 111.9102 cm^3
• Polarizability: 37.9501 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.52
• LOG S: -2.23
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6