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

• ChemBase ID: 507185
• Molecular Formular: C25H28N4O2
• Molecular Mass: 416.51542
• Monoisotopic Mass: 416.22122616
• SMILES: c12c(nn(c1CCN(C2)Cc1ccccc1)Cc1cc(OC)ccc1)C(=O)NC1CC1
• Canonical SMILES: COc1cccc(c1)Cn1nc(c2c1CCN(C2)Cc1ccccc1)C(=O)NC1CC1
• InChI: InChI=1S/C25H28N4O2/c1-31-21-9-5-8-19(14-21)16-29-23-12-13-28(15-18-6-3-2-4-7-18)17-22(23)24(27-29)25(30)26-20-10-11-20/h2-9,14,20H,10-13,15-17H2,1H3,(H,26,30)
• InChIKey: WBGRZPUIYFOCOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213328
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.554527
• LogD (pH = 7.4): 3.0642095
• Log P: 3.290697
• Molar Refractivity: 133.3043 cm^3
• Polarizability: 46.31849 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.24
• LOG S: -5.33
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6