N-(5-methyl-2-pentanamidophenyl)pyrazolo[1,5-a]pyridine-2-carboxamide

• ChemBase ID: 762019
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(nn2c(c1)cccc2)C(=O)Nc1c(NC(=O)CCCC)ccc(c1)C
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1NC(=O)c1cc2n(n1)cccc2)C
• InChI: InChI=1S/C20H22N4O2/c1-3-4-8-19(25)21-16-10-9-14(2)12-17(16)22-20(26)18-13-15-7-5-6-11-24(15)23-18/h5-7,9-13H,3-4,8H2,1-2H3,(H,21,25)(H,22,26)
• InChIKey: LGYJUWUPWJXOTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methyl-2-pentanamidophenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-(5-methyl-2-pentanamidophenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
• Synonyms: N-[5-methyl-2-(pentanoylamino)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.991849
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.3217225
• LogD (pH = 7.4): 4.3217125
• Log P: 4.321723
• Molar Refractivity: 114.8725 cm^3
• Polarizability: 38.73705 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.46
• LOG S: -4.71
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 6