5-(3-cyanopyridin-2-yl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 332271
• Molecular Formular: C19H17N7O
• Molecular Mass: 359.38458
• Monoisotopic Mass: 359.1494582
• SMILES: c1(nn2c(c1)CN(c1c(C#N)cccn1)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: N#Cc1cccnc1N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C19H17N7O/c20-11-14-4-3-7-22-18(14)25-8-9-26-16(13-25)10-17(24-26)19(27)23-12-15-5-1-2-6-21-15/h1-7,10H,8-9,12-13H2,(H,23,27)
• InChIKey: GFMLSBQYTQXFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-cyanopyridin-2-yl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(3-cyanopyridin-2-yl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-(3-cyanopyridin-2-yl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901379
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.2446687
• LogD (pH = 7.4): 1.2631783
• Log P: 1.2634196
• Molar Refractivity: 111.3259 cm^3
• Polarizability: 36.918007 Å^3
• Polar Surface Area: 99.73 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: -0.64
• LOG S: -1.55
• Polar Surface Area: 99.73 Å^2
• Rotatable Bonds: 4