5-{[5-(2-chlorophenyl)furan-2-yl]methyl}-N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 751013
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c1(c2c(n[nH]1)CCN(C2)Cc1oc(c2c(Cl)cccc2)cc1)C(=O)NC
• Canonical SMILES: CNC(=O)c1[nH]nc2c1CN(CC2)Cc1ccc(o1)c1ccccc1Cl
• InChI: InChI=1S/C19H19ClN4O2/c1-21-19(25)18-14-11-24(9-8-16(14)22-23-18)10-12-6-7-17(26-12)13-4-2-3-5-15(13)20/h2-7H,8-11H2,1H3,(H,21,25)(H,22,23)
• InChIKey: UZBSJPKEBSHEKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[5-(2-chlorophenyl)furan-2-yl]methyl}-N-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{[5-(2-chlorophenyl)furan-2-yl]methyl}-N-methyl-2H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-{[5-(2-chlorophenyl)-2-furyl]methyl}-N-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.397379
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.790404
• LogD (pH = 7.4): 2.106267
• Log P: 2.238847
• Molar Refractivity: 101.6945 cm^3
• Polarizability: 39.185352 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.26
• LOG S: -2.98
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 4