6-methoxy-2-oxo-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 524106
• Molecular Formular: C19H18N4O3
• Molecular Mass: 350.37122
• Monoisotopic Mass: 350.13789046
• SMILES: n12c(c(cn1)CNC(=O)C1c3c(NC(=O)C1)ccc(c3)OC)cccc2
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)NCc1cnn2c1cccc2
• InChI: InChI=1S/C19H18N4O3/c1-26-13-5-6-16-14(8-13)15(9-18(24)22-16)19(25)20-10-12-11-21-23-7-3-2-4-17(12)23/h2-8,11,15H,9-10H2,1H3,(H,20,25)(H,22,24)
• InChIKey: TXOPQEJCNOJXCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-oxo-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-2-oxo-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-2-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.124186
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2527788
• LogD (pH = 7.4): 1.252835
• Log P: 1.2528359
• Molar Refractivity: 108.1404 cm^3
• Polarizability: 36.942936 Å^3
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.93
• LOG S: -2.55
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 4