N-(2-hydroxyethyl)-3-[5-(quinoxalin-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase ID: 586423
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: c12n(nc(c1)CCC(=O)NCCO)CCN(c1nc3c(nc1)cccc3)C2
• Canonical SMILES: OCCNC(=O)CCc1nn2c(c1)CN(CC2)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C19H22N6O2/c26-10-7-20-19(27)6-5-14-11-15-13-24(8-9-25(15)23-14)18-12-21-16-3-1-2-4-17(16)22-18/h1-4,11-12,26H,5-10,13H2,(H,20,27)
• InChIKey: WHPDMTQRXBRHEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-3-[5-(quinoxalin-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-3-[5-(quinoxalin-2-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-(2-hydroxyethyl)-3-[5-(2-quinoxalinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.914045
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.5844442
• LogD (pH = 7.4): 0.5852433
• Log P: 0.5852535
• Molar Refractivity: 112.113 cm^3
• Polarizability: 39.339237 Å^3
• Polar Surface Area: 96.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.52
• LOG S: -1.88
• Polar Surface Area: 96.17 Å^2
• Rotatable Bonds: 6