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

• ChemBase ID: 358214
• Molecular Formular: C16H21N7O2
• Molecular Mass: 343.38364
• Monoisotopic Mass: 343.17567295
• SMILES: c1(nn2c(c1)CN(C(=O)c1nccnc1)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1nn2c(c1)CN(CC2)C(=O)c1cnccn1)C
• InChI: InChI=1S/C16H21N7O2/c1-21(2)6-5-19-15(24)13-9-12-11-22(7-8-23(12)20-13)16(25)14-10-17-3-4-18-14/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,24)
• InChIKey: GEZUQDHPCGSQRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.044398
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -4.286387
• LogD (pH = 7.4): -2.537803
• Log P: -1.3986357
• Molar Refractivity: 103.2907 cm^3
• Polarizability: 34.377846 Å^3
• Polar Surface Area: 96.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -3.08
• LOG S: -0.38
• Polar Surface Area: 96.25 Å^2
• Rotatable Bonds: 5