N-cyclopropyl-5-(6-methyl-2-propylpyrimidin-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 565819
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: c1(nn2c(c1)CN(c1nc(nc(c1)C)CCC)CC2)C(=O)NC1CC1
• Canonical SMILES: CCCc1nc(cc(n1)C)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C18H24N6O/c1-3-4-16-19-12(2)9-17(21-16)23-7-8-24-14(11-23)10-15(22-24)18(25)20-13-5-6-13/h9-10,13H,3-8,11H2,1-2H3,(H,20,25)
• InChIKey: YRPFAJVJAMGCRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(6-methyl-2-propylpyrimidin-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(6-methyl-2-propylpyrimidin-4-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-(6-methyl-2-propylpyrimidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166694
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0374709
• LogD (pH = 7.4): 2.174655
• Log P: 2.260265
• Molar Refractivity: 108.147 cm^3
• Polarizability: 35.662674 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.21
• LOG S: -3.57
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 5