N-[4-methoxy-2-(2-methylpropanamido)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 459562
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: c1(c2n(nc1)cccc2)C(=O)Nc1c(NC(=O)C(C)C)cc(cc1)OC
• Canonical SMILES: COc1ccc(c(c1)NC(=O)C(C)C)NC(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C19H20N4O3/c1-12(2)18(24)22-16-10-13(26-3)7-8-15(16)21-19(25)14-11-20-23-9-5-4-6-17(14)23/h4-12H,1-3H3,(H,21,25)(H,22,24)
• InChIKey: KIJIAPYPLUUFRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-methoxy-2-(2-methylpropanamido)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[4-methoxy-2-(2-methylpropanamido)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[2-(isobutyrylamino)-4-methoxyphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.88564
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9186187
• LogD (pH = 7.4): 2.9186153
• Log P: 2.918629
• Molar Refractivity: 112.039 cm^3
• Polarizability: 37.650585 Å^3
• Polar Surface Area: 84.73 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: 2.28
• LOG S: -3.72
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 5