N-cyclopentyl-5-methyl-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 534907
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: c12c(nn(c1CCN(C2)C)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C17H28N4O/c1-12(2)10-21-15-8-9-20(3)11-14(15)16(19-21)17(22)18-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H,18,22)
• InChIKey: BAEOYUAPYXUAHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-methyl-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-methyl-1-(2-methylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-1-isobutyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.221474
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5272127
• LogD (pH = 7.4): 1.9563953
• Log P: 2.1328626
• Molar Refractivity: 100.5621 cm^3
• Polarizability: 33.823936 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: 2.14
• LOG S: -3.59
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3