N-[(1-benzyl-1H-imidazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 523095
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1n(ccn1)Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1cccc2n1ncc2)Cc1nccn1Cc1ccccc1
• InChI: InChI=1S/C20H19N5O/c1-23(20(26)18-9-5-8-17-10-11-22-25(17)18)15-19-21-12-13-24(19)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
• InChIKey: YATPWBKWPLRHBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzyl-1H-imidazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(1-benzylimidazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(1-benzyl-1H-imidazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.836679
• LogD (pH = 7.4): 2.3333063
• Log P: 2.3484952
• Molar Refractivity: 111.1309 cm^3
• Polarizability: 38.233833 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.52
• LOG S: -3.02
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 5