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

• ChemBase ID: 662966
• Molecular Formular: C16H22N6O
• Molecular Mass: 314.38548
• Monoisotopic Mass: 314.18550935
• SMILES: c1(nn2c(c1)CN(c1ccncc1)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)c1ccncc1)C
• InChI: InChI=1S/C16H22N6O/c1-20(2)8-7-18-16(23)15-11-14-12-21(9-10-22(14)19-15)13-3-5-17-6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,18,23)
• InChIKey: DLAHOSSDFCIUHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.044717
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.6272008
• LogD (pH = 7.4): -1.7183272
• Log P: 0.24323781
• Molar Refractivity: 101.3764 cm^3
• Polarizability: 33.425632 Å^3
• Polar Surface Area: 66.29 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: 0.97
• LOG S: -2.33
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 5