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

• ChemBase ID: 661140
• Molecular Formular: C17H24N6O
• Molecular Mass: 328.41206
• Monoisotopic Mass: 328.20115942
• SMILES: c1(nn2c(c1)CN(CC2)Cc1ccncc1)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)Cc1ccncc1)C
• InChI: InChI=1S/C17H24N6O/c1-21(2)8-7-19-17(24)16-11-15-13-22(9-10-23(15)20-16)12-14-3-5-18-6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,24)
• InChIKey: GHXYSKHGFOIHFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.045844
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.072046
• LogD (pH = 7.4): -1.0670413
• Log P: 0.07659072
• Molar Refractivity: 105.4905 cm^3
• Polarizability: 35.646515 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.78
• LOG S: -0.09
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 6