5-(2-oxo-1,2-dihydroquinoline-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 367457
• Molecular Formular: C17H15N5O3
• Molecular Mass: 337.3327
• Monoisotopic Mass: 337.11748937
• SMILES: c12c(n[nH]c2CCN(C(=O)c2c3c([nH]c(=O)c2)cccc3)C1)C(=O)N
• Canonical SMILES: O=C(c1cc(=O)[nH]c2c1cccc2)N1CCc2c(C1)c(n[nH]2)C(=O)N
• InChI: InChI=1S/C17H15N5O3/c18-16(24)15-11-8-22(6-5-13(11)20-21-15)17(25)10-7-14(23)19-12-4-2-1-3-9(10)12/h1-4,7H,5-6,8H2,(H2,18,24)(H,19,23)(H,20,21)
• InChIKey: OVWZVYOCUUXOIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-oxo-1,2-dihydroquinoline-4-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(2-oxo-1H-quinoline-4-carbonyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[(2-oxo-1,2-dihydro-4-quinolinyl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.07761
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.2761455
• LogD (pH = 7.4): -0.35561472
• Log P: -0.27502504
• Molar Refractivity: 93.1979 cm^3
• Polarizability: 33.296448 Å^3
• Polar Surface Area: 121.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.76
• LOG S: -2.32
• Polar Surface Area: 124.94 Å^2
• Rotatable Bonds: 2