N-[3-(1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 782738
• Molecular Formular: C14H15N5O
• Molecular Mass: 269.3018
• Monoisotopic Mass: 269.12766013
• SMILES: n12c(C(=O)NCCCn3cncc3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCCCn1cncc1
• InChI: InChI=1S/C14H15N5O/c20-14(16-6-2-9-18-10-8-15-11-18)13-4-1-3-12-5-7-17-19(12)13/h1,3-5,7-8,10-11H,2,6,9H2,(H,16,20)
• InChIKey: HWHRCBBIBUZICJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[3-(1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.689962
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.06850406
• LogD (pH = 7.4): 0.39572108
• Log P: 0.46438712
• Molar Refractivity: 86.6364 cm^3
• Polarizability: 28.722504 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.42
• LOG S: -1.52
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5