N-[3-(4-ethoxyphenyl)propyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 756033
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c12c(n[nH]c1CCN(C2)C)C(=O)NCCCc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CCCNC(=O)c1n[nH]c2c1CN(C)CC2
• InChI: InChI=1S/C19H26N4O2/c1-3-25-15-8-6-14(7-9-15)5-4-11-20-19(24)18-16-13-23(2)12-10-17(16)21-22-18/h6-9H,3-5,10-13H2,1-2H3,(H,20,24)(H,21,22)
• InChIKey: PFVFBTQMIMDDDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-ethoxyphenyl)propyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(4-ethoxyphenyl)propyl]-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-[3-(4-ethoxyphenyl)propyl]-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.032678
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.4192463
• LogD (pH = 7.4): 1.8688962
• Log P: 1.9768968
• Molar Refractivity: 100.3691 cm^3
• Polarizability: 37.536743 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.35
• LOG S: -2.85
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 7