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

• ChemBase ID: 547763
• Molecular Formular: C23H25N5O3
• Molecular Mass: 419.4763
• Monoisotopic Mass: 419.19573969
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ncccc1)CC)C(=O)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNC(=O)c1nn(c2c1CN(CC2)C(=O)c1ccccn1)CC
• InChI: InChI=1S/C23H25N5O3/c1-3-28-20-11-13-27(23(30)19-6-4-5-12-24-19)15-18(20)21(26-28)22(29)25-14-16-7-9-17(31-2)10-8-16/h4-10,12H,3,11,13-15H2,1-2H3,(H,25,29)
• InChIKey: URNWBMSNEGVHQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[(4-methoxyphenyl)methyl]-5-(pyridine-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[(4-methoxyphenyl)methyl]-5-(pyridine-2-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-ethyl-N-(4-methoxybenzyl)-5-(2-pyridinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.99025
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7066981
• LogD (pH = 7.4): 1.7067137
• Log P: 1.7067139
• Molar Refractivity: 128.6419 cm^3
• Polarizability: 43.87759 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: 1.56
• LOG S: -5.65
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 4