N-[(6-fluoro-1H-1,3-benzodiazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 632642
• Molecular Formular: C17H14FN5O
• Molecular Mass: 323.3243632
• Monoisotopic Mass: 323.11823831
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1nc2c([nH]1)cc(cc2)F)C
• Canonical SMILES: Fc1ccc2c(c1)[nH]c(n2)CN(C(=O)c1cccc2n1ncc2)C
• InChI: InChI=1S/C17H14FN5O/c1-22(10-16-20-13-6-5-11(18)9-14(13)21-16)17(24)15-4-2-3-12-7-8-19-23(12)15/h2-9H,10H2,1H3,(H,20,21)
• InChIKey: OGVNSMHWQVRATE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-fluoro-1H-1,3-benzodiazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(5-fluoro-3H-1,3-benzodiazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylpyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.068978
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7980101
• LogD (pH = 7.4): 1.9454137
• Log P: 1.9477762
• Molar Refractivity: 97.7937 cm^3
• Polarizability: 34.03032 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.48
• LOG S: -3.93
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 3