3-[3-(4-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide

• ChemBase ID: 435520
• Molecular Formular: C15H17ClN4O
• Molecular Mass: 304.77468
• Monoisotopic Mass: 304.10908886
• SMILES: c12c(n[nH]c1CCN(C2)CCC(=O)N)c1ccc(cc1)Cl
• Canonical SMILES: NC(=O)CCN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H17ClN4O/c16-11-3-1-10(2-4-11)15-12-9-20(8-6-14(17)21)7-5-13(12)18-19-15/h1-4H,5-9H2,(H2,17,21)(H,18,19)
• InChIKey: VPQNHRXICVUVDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.383288
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2090347
• LogD (pH = 7.4): 0.5636466
• Log P: 1.4951885
• Molar Refractivity: 83.7608 cm^3
• Polarizability: 32.917 Å^3
• Polar Surface Area: 75.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.08
• LOG S: -2.35
• Polar Surface Area: 75.01 Å^2
• Rotatable Bonds: 4