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

• ChemBase ID: 418910
• Molecular Formular: C28H34N4O3
• Molecular Mass: 474.59456
• Monoisotopic Mass: 474.26309097
• SMILES: c12c(nn(c1CCN(C2)Cc1cc(OC)ccc1)Cc1ccc(cc1)OC)C(=O)NC1CCCC1
• Canonical SMILES: COc1ccc(cc1)Cn1nc(c2c1CCN(C2)Cc1cccc(c1)OC)C(=O)NC1CCCC1
• InChI: InChI=1S/C28H34N4O3/c1-34-23-12-10-20(11-13-23)18-32-26-14-15-31(17-21-6-5-9-24(16-21)35-2)19-25(26)27(30-32)28(33)29-22-7-3-4-8-22/h5-6,9-13,16,22H,3-4,7-8,14-15,17-19H2,1-2H3,(H,29,33)
• InChIKey: RDWWUFMQGVMBTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213357
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5792327
• LogD (pH = 7.4): 3.8952792
• Log P: 4.022163
• Molar Refractivity: 148.9695 cm^3
• Polarizability: 52.51732 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: 4.28
• LOG S: -5.94
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6