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

• ChemBase ID: 479848
• Molecular Formular: C19H23N7O
• Molecular Mass: 365.43222
• Monoisotopic Mass: 365.19640839
• SMILES: c1(nn2c(c1)CN(c1nc3c(nc1)cccc3)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)c1cnc2c(n1)cccc2)C
• InChI: InChI=1S/C19H23N7O/c1-24(2)8-7-20-19(27)17-11-14-13-25(9-10-26(14)23-17)18-12-21-15-5-3-4-6-16(15)22-18/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,27)
• InChIKey: KPLYXMGHRFQBNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.044562
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.5073119
• LogD (pH = 7.4): 0.24202357
• Log P: 1.3812003
• Molar Refractivity: 115.2392 cm^3
• Polarizability: 40.036877 Å^3
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.8
• LOG S: -3.4
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 5