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

• ChemBase ID: 381548
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: c1(nn2c(c1)CN(C(=O)c1cc3c([nH]cc3)cc1)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1cc2n(n1)CCN(C2)C(=O)c1ccc2c(c1)cc[nH]2)C
• InChI: InChI=1S/C20H24N6O2/c1-24(2)8-7-22-19(27)18-12-16-13-25(9-10-26(16)23-18)20(28)15-3-4-17-14(11-15)5-6-21-17/h3-6,11-12,21H,7-10,13H2,1-2H3,(H,22,27)
• InChIKey: YTSURSABLLKGMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.038564
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1381302
• LogD (pH = 7.4): -0.38954636
• Log P: 0.7496208
• Molar Refractivity: 119.063 cm^3
• Polarizability: 41.29207 Å^3
• Polar Surface Area: 86.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.12
• LOG S: -2.93
• Polar Surface Area: 86.26 Å^2
• Rotatable Bonds: 5