6-{pyrazolo[1,5-a]pyridin-7-yl}-N-[3-(pyridin-2-yl)propyl]pyridine-3-carboxamide

• ChemBase ID: 787003
• Molecular Formular: C21H19N5O
• Molecular Mass: 357.40846
• Monoisotopic Mass: 357.15896025
• SMILES: n12c(c3ncc(C(=O)NCCCc4ncccc4)cc3)cccc1ccn2
• Canonical SMILES: O=C(c1ccc(nc1)c1cccc2n1ncc2)NCCCc1ccccn1
• InChI: InChI=1S/C21H19N5O/c27-21(23-13-4-6-17-5-1-2-12-22-17)16-9-10-19(24-15-16)20-8-3-7-18-11-14-25-26(18)20/h1-3,5,7-12,14-15H,4,6,13H2,(H,23,27)
• InChIKey: SNQRUAGCVALFOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{pyrazolo[1,5-a]pyridin-7-yl}-N-[3-(pyridin-2-yl)propyl]pyridine-3-carboxamide
• IUPAC Traditional name: 6-{pyrazolo[1,5-a]pyridin-7-yl}-N-[3-(pyridin-2-yl)propyl]pyridine-3-carboxamide
• Synonyms: 6-pyrazolo[1,5-a]pyridin-7-yl-N-(3-pyridin-2-ylpropyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.846688
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.37923
• LogD (pH = 7.4): 2.4262147
• Log P: 2.4268503
• Molar Refractivity: 113.8257 cm^3
• Polarizability: 41.082066 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.38
• LOG S: -2.54
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 6