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

• ChemBase ID: 770218
• Molecular Formular: C17H18N6O3
• Molecular Mass: 354.36322
• Monoisotopic Mass: 354.14403847
• SMILES: c1(C(=O)N2Cc3n(nc(c3)C(=O)NCCO)CC2)c2n(nc1)cccc2
• Canonical SMILES: OCCNC(=O)c1nn2c(c1)CN(CC2)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C17H18N6O3/c24-8-4-18-16(25)14-9-12-11-21(6-7-22(12)20-14)17(26)13-10-19-23-5-2-1-3-15(13)23/h1-3,5,9-10,24H,4,6-8,11H2,(H,18,25)
• InChIKey: WJGPTNUKGWNVOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.018519
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5279621
• LogD (pH = 7.4): -0.52795076
• Log P: -0.5279505
• Molar Refractivity: 116.1696 cm^3
• Polarizability: 35.199352 Å^3
• Polar Surface Area: 104.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.29
• LOG S: -2.85
• Polar Surface Area: 104.76 Å^2
• Rotatable Bonds: 4