5-[2-(dimethylamino)propanoyl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 709282
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c1(nn2c(c1)CN(C(=O)C(N(C)C)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: CN(C(C(=O)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1)C)C
• InChI: InChI=1S/C18H24N6O2/c1-13(22(2)3)18(26)23-8-9-24-15(12-23)10-16(21-24)17(25)20-11-14-6-4-5-7-19-14/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,25)
• InChIKey: PARHEMMUYCZURA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(dimethylamino)propanoyl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-[2-(dimethylamino)propanoyl]-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-(N,N-dimethylalanyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901249
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.4722786
• LogD (pH = 7.4): -0.7228336
• Log P: -0.17342484
• Molar Refractivity: 109.1433 cm^3
• Polarizability: 37.27345 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.31
• LOG S: -0.69
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5