5-[(6-fluoro-4-hydroxyquinolin-2-yl)methyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 744563
• Molecular Formular: C19H20FN5O2
• Molecular Mass: 369.3928032
• Monoisotopic Mass: 369.16010313
• SMILES: c1(c2c([nH]n1)CCN(C2)Cc1nc2c(c(c1)O)cc(cc2)F)C(=O)N(C)C
• Canonical SMILES: Fc1ccc2c(c1)c(O)cc(n2)CN1CCc2c(C1)c(n[nH]2)C(=O)N(C)C
• InChI: InChI=1S/C19H20FN5O2/c1-24(2)19(27)18-14-10-25(6-5-16(14)22-23-18)9-12-8-17(26)13-7-11(20)3-4-15(13)21-12/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,21,26)(H,22,23)
• InChIKey: KEVXGCQQWLORGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(6-fluoro-4-hydroxyquinolin-2-yl)methyl]-N,N-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-[(6-fluoro-4-hydroxyquinolin-2-yl)methyl]-N,N-dimethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[(6-fluoro-4-hydroxyquinolin-2-yl)methyl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.640646
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.1141491
• LogD (pH = 7.4): 1.4278142
• Log P: 1.4365938
• Molar Refractivity: 100.2944 cm^3
• Polarizability: 38.220703 Å^3
• Polar Surface Area: 85.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.08
• LOG S: -3.13
• Polar Surface Area: 85.35 Å^2
• Rotatable Bonds: 3