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

• ChemBase ID: 670850
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c12c(nn(c1CCN(C2)C1CCCC1)CCO)C(=O)NCc1ccccc1
• Canonical SMILES: OCCn1nc(c2c1CCN(C2)C1CCCC1)C(=O)NCc1ccccc1
• InChI: InChI=1S/C21H28N4O2/c26-13-12-25-19-10-11-24(17-8-4-5-9-17)15-18(19)20(23-25)21(27)22-14-16-6-2-1-3-7-16/h1-3,6-7,17,26H,4-5,8-15H2,(H,22,27)
• InChIKey: HJZQTXSZCCNFAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.061044
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.58446354
• LogD (pH = 7.4): 1.1837889
• Log P: 1.9229305
• Molar Refractivity: 117.7228 cm^3
• Polarizability: 40.35302 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.09
• LOG S: -4.31
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 6