5-(7-fluoro-2-methylquinoline-4-carbonyl)-N-(3-methoxypropyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 412522
• Molecular Formular: C23H26FN5O3
• Molecular Mass: 439.4826432
• Monoisotopic Mass: 439.20196794
• SMILES: c12c(nn(c1CCN(C(=O)c1c3c(nc(c1)C)cc(cc3)F)C2)C)C(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)c1nn(c2c1CN(CC2)C(=O)c1cc(C)nc2c1ccc(c2)F)C
• InChI: InChI=1S/C23H26FN5O3/c1-14-11-17(16-6-5-15(24)12-19(16)26-14)23(31)29-9-7-20-18(13-29)21(27-28(20)2)22(30)25-8-4-10-32-3/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,25,30)
• InChIKey: HODKZDMEOQQPCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.003624
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0585123
• LogD (pH = 7.4): 1.059623
• Log P: 1.0596373
• Molar Refractivity: 129.9845 cm^3
• Polarizability: 45.08841 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.58
• LOG S: -5.96
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 5