N-(2,5-dimethoxyphenyl)-3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide

• ChemBase ID: 729223
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c12c(n[nH]c1CCN(C(=O)Nc1cc(ccc1OC)OC)C2)C(C)C
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CCc2c(C1)c(n[nH]2)C(C)C)OC
• InChI: InChI=1S/C18H24N4O3/c1-11(2)17-13-10-22(8-7-14(13)20-21-17)18(23)19-15-9-12(24-3)5-6-16(15)25-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,19,23)(H,20,21)
• InChIKey: CNCLKNFGSTZHSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethoxyphenyl)-3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-(2,5-dimethoxyphenyl)-3-isopropyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
• Synonyms: N-(2,5-dimethoxyphenyl)-3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.628684
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1436713
• LogD (pH = 7.4): 2.1441274
• Log P: 2.144158
• Molar Refractivity: 97.7079 cm^3
• Polarizability: 36.195183 Å^3
• Polar Surface Area: 79.48 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: 2.6
• LOG S: -3.93
• Polar Surface Area: 79.48 Å^2
• Rotatable Bonds: 4