N-[2-(1H-imidazol-4-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 524170
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCCc1nc[nH]c1
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCCc1c[nH]cn1
• InChI: InChI=1S/C13H17N5O/c19-13(15-5-4-10-7-14-9-16-10)11-8-17-18-6-2-1-3-12(11)18/h7-9H,1-6H2,(H,14,16)(H,15,19)
• InChIKey: KDPQUYPRGPNUGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-imidazol-4-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(1H-imidazol-4-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[2-(1H-imidazol-4-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.007205
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.69610745
• LogD (pH = 7.4): 0.041002326
• Log P: 0.093029454
• Molar Refractivity: 83.2242 cm^3
• Polarizability: 26.575724 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.07
• LOG S: -2.34
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 4