N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 838106
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: n12c(C(=O)NCC3CCOCC3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCC1CCOCC1
• InChI: InChI=1S/C14H17N3O2/c18-14(15-10-11-5-8-19-9-6-11)13-3-1-2-12-4-7-16-17(12)13/h1-4,7,11H,5-6,8-10H2,(H,15,18)
• InChIKey: ZZVWFHLYXOBUQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-(tetrahydro-2H-pyran-4-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.686921
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91923225
• LogD (pH = 7.4): 0.9192866
• Log P: 0.9192873
• Molar Refractivity: 83.124 cm^3
• Polarizability: 27.803373 Å^3
• Polar Surface Area: 55.63 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: 0.75
• LOG S: -1.73
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3