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

• ChemBase ID: 628862
• Molecular Formular: C19H21N7O
• Molecular Mass: 363.41634
• Monoisotopic Mass: 363.18075833
• SMILES: c1(nn2c(c1)CN(c1nc(ncc1C)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: Cc1ncc(c(n1)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C19H21N7O/c1-13-10-21-14(2)23-18(13)25-7-8-26-16(12-25)9-17(24-26)19(27)22-11-15-5-3-4-6-20-15/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,27)
• InChIKey: AGTGDRKXVDILCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901381
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.0464311
• LogD (pH = 7.4): 1.6863328
• Log P: 1.7055355
• Molar Refractivity: 114.0911 cm^3
• Polarizability: 37.719475 Å^3
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.71
• LOG S: -1.25
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 4