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

• ChemBase ID: 746805
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c12c(nn(c1CCN(C2)Cc1ccccc1)C)C(=O)NC1CCCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1ccccc1)C)NC1CCCC1
• InChI: InChI=1S/C20H26N4O/c1-23-18-11-12-24(13-15-7-3-2-4-8-15)14-17(18)19(22-23)20(25)21-16-9-5-6-10-16/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,21,25)
• InChIKey: ZGJJGHQSLGCUKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.227808
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.82181925
• LogD (pH = 7.4): 2.3624628
• Log P: 2.6130326
• Molar Refractivity: 111.4305 cm^3
• Polarizability: 37.890476 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.67
• LOG S: -4.38
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4