N-(2-hydroxyethyl)-5-(1H-indazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 369524
• Molecular Formular: C17H18N6O3
• Molecular Mass: 354.36322
• Monoisotopic Mass: 354.14403847
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N1Cc2n(nc(c2)C(=O)NCCO)CC1
• Canonical SMILES: OCCNC(=O)c1nn2c(c1)CN(CC2)C(=O)c1n[nH]c2c1cccc2
• InChI: InChI=1S/C17H18N6O3/c24-8-5-18-16(25)14-9-11-10-22(6-7-23(11)21-14)17(26)15-12-3-1-2-4-13(12)19-20-15/h1-4,9,24H,5-8,10H2,(H,18,25)(H,19,20)
• InChIKey: KQPQYLKARRINKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-5-(1H-indazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-5-(1H-indazole-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-(2-hydroxyethyl)-5-(1H-indazol-3-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.189837
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.34898534
• LogD (pH = 7.4): -0.34966233
• Log P: -0.34897554
• Molar Refractivity: 105.8928 cm^3
• Polarizability: 35.867348 Å^3
• Polar Surface Area: 116.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.03
• LOG S: -3.07
• Polar Surface Area: 116.14 Å^2
• Rotatable Bonds: 4