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

• ChemBase ID: 512454
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(nn2c(c1)CN(c1nc3c(cc1)cccc3)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)c1ccc2c(n1)cccc2)C
• InChI: InChI=1S/C20H24N6O/c1-24(2)10-9-21-20(27)18-13-16-14-25(11-12-26(16)23-18)19-8-7-15-5-3-4-6-17(15)22-19/h3-8,13H,9-12,14H2,1-2H3,(H,21,27)
• InChIKey: CGHFGOQKIFNZJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.044565
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0789006
• LogD (pH = 7.4): 1.0653523
• Log P: 2.2130225
• Molar Refractivity: 117.7681 cm^3
• Polarizability: 40.927277 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: -0.94
• LOG S: -2.36
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 5