2-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}quinoxaline

• ChemBase ID: 524351
• Molecular Formular: C15H13N5O
• Molecular Mass: 279.29662
• Monoisotopic Mass: 279.11201006
• SMILES: N1(C(=O)c2nc3c(nc2)cccc3)Cc2c(n[nH]c2)CC1
• Canonical SMILES: O=C(c1cnc2c(n1)cccc2)N1CCc2c(C1)c[nH]n2
• InChI: InChI=1S/C15H13N5O/c21-15(20-6-5-11-10(9-20)7-17-19-11)14-8-16-12-3-1-2-4-13(12)18-14/h1-4,7-8H,5-6,9H2,(H,17,19)
• InChIKey: IPNDBWKYJFDVPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}quinoxaline
• IUPAC Traditional name: 2-{2H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl}quinoxaline
• Synonyms: 2-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylcarbonyl)quinoxaline

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.643542
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0812335
• LogD (pH = 7.4): 1.0812892
• Log P: 1.0812901
• Molar Refractivity: 76.982 cm^3
• Polarizability: 30.087662 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.6
• LOG S: -1.75
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 1