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

• ChemBase ID: 740458
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c12c(n[nH]c1CCN(C2)CC(=O)NCc1occc1)c1ccc(cc1)Cl
• Canonical SMILES: O=C(CN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)Cl)NCc1ccco1
• InChI: InChI=1S/C19H19ClN4O2/c20-14-5-3-13(4-6-14)19-16-11-24(8-7-17(16)22-23-19)12-18(25)21-10-15-2-1-9-26-15/h1-6,9H,7-8,10-12H2,(H,21,25)(H,22,23)
• InChIKey: COUKSVMKHXKBSA-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-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-[3-(4-chlorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(furan-2-ylmethyl)acetamide
• Synonyms: 2-[3-(4-chlorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N-(2-furylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.858136
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.324314
• LogD (pH = 7.4): 2.2260258
• Log P: 2.2665715
• Molar Refractivity: 100.9616 cm^3
• Polarizability: 39.376278 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.86
• LOG S: -4.35
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 5