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

• ChemBase ID: 463309
• Molecular Formular: C25H30N4O3
• Molecular Mass: 434.5307
• Monoisotopic Mass: 434.23179084
• SMILES: c12c(nn(c1CCN(C2)Cc1ccc(cc1)OC)CC)C(=O)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNC(=O)c1nn(c2c1CN(CC2)Cc1ccc(cc1)OC)CC
• InChI: InChI=1S/C25H30N4O3/c1-4-29-23-13-14-28(16-19-7-11-21(32-3)12-8-19)17-22(23)24(27-29)25(30)26-15-18-5-9-20(31-2)10-6-18/h5-12H,4,13-17H2,1-3H3,(H,26,30)
• InChIKey: RVBSPXWCXSOWTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.106956
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6043626
• LogD (pH = 7.4): 2.9033666
• Log P: 3.024269
• Molar Refractivity: 137.3049 cm^3
• Polarizability: 47.720406 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.53
• LOG S: -4.87
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 5