N-[(4-fluorophenyl)methyl]-N-(prop-2-en-1-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 552193
• Molecular Formular: C18H20FN3O
• Molecular Mass: 313.3693032
• Monoisotopic Mass: 313.1590405
• SMILES: c1(C(=O)N(Cc2ccc(F)cc2)CC=C)c2n(nc1)CCCC2
• Canonical SMILES: C=CCN(C(=O)c1cnn2c1CCCC2)Cc1ccc(cc1)F
• InChI: InChI=1S/C18H20FN3O/c1-2-10-21(13-14-6-8-15(19)9-7-14)18(23)16-12-20-22-11-4-3-5-17(16)22/h2,6-9,12H,1,3-5,10-11,13H2
• InChIKey: KFBOAHMXPDLRJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-N-(prop-2-en-1-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-N-(prop-2-en-1-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-allyl-N-(4-fluorobenzyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9906049
• LogD (pH = 7.4): 2.9906423
• Log P: 2.9906428
• Molar Refractivity: 100.368 cm^3
• Polarizability: 32.832462 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.56
• LOG S: -3.67
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5