2-[3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-cyclopentyl-2-oxoacetamide

• ChemBase ID: 596496
• Molecular Formular: C19H21ClN4O2
• Molecular Mass: 372.84864
• Monoisotopic Mass: 372.13530361
• SMILES: c12c(n[nH]c2CCN(C(=O)C(=O)NC2CCCC2)C1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1n[nH]c2c1CN(CC2)C(=O)C(=O)NC1CCCC1
• InChI: InChI=1S/C19H21ClN4O2/c20-13-7-5-12(6-8-13)17-15-11-24(10-9-16(15)22-23-17)19(26)18(25)21-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,21,25)(H,22,23)
• InChIKey: MXTFUQPQLXIYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-cyclopentyl-2-oxoacetamide
• IUPAC Traditional name: 2-[3-(4-chlorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-cyclopentyl-2-oxoacetamide
• Synonyms: 2-[3-(4-chlorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N-cyclopentyl-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.509676
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5449665
• LogD (pH = 7.4): 2.5450547
• Log P: 2.545059
• Molar Refractivity: 100.3528 cm^3
• Polarizability: 39.32398 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.39
• LOG S: -3.96
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 3