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

• ChemBase ID: 371783
• Molecular Formular: C17H24N6O
• Molecular Mass: 328.41206
• Monoisotopic Mass: 328.20115942
• SMILES: c1(nn2c(c1)CN(CC2)Cc1ncccc1)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)Cc1ccccn1)C
• InChI: InChI=1S/C17H24N6O/c1-21(2)8-7-19-17(24)16-11-15-13-22(9-10-23(15)20-16)12-14-5-3-4-6-18-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,24)
• InChIKey: DIIFYMBDBAUUDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.045841
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7902744
• LogD (pH = 7.4): -0.9819234
• Log P: 0.1580626
• Molar Refractivity: 104.9683 cm^3
• Polarizability: 35.6476 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