ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate

• ChemBase ID: 687325
• Molecular Formular: C24H27N3O3
• Molecular Mass: 405.48948
• Monoisotopic Mass: 405.20524174
• SMILES: c12c(nn(c1CCN(C2)Cc1cc(OC)ccc1)Cc1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nn(c2c1CN(CC2)Cc1cccc(c1)OC)Cc1ccccc1
• InChI: InChI=1S/C24H27N3O3/c1-3-30-24(28)23-21-17-26(15-19-10-7-11-20(14-19)29-2)13-12-22(21)27(25-23)16-18-8-5-4-6-9-18/h4-11,14H,3,12-13,15-17H2,1-2H3
• InChIKey: UJJZNMAAYXIILR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0608299
• LogD (pH = 7.4): 3.8789914
• Log P: 3.911101
• Molar Refractivity: 128.8919 cm^3
• Polarizability: 44.955406 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.49
• LOG S: -4.75
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 5