N-[2-(1H-imidazol-1-yl)-1-phenylethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 619161
• Molecular Formular: C19H17N5O
• Molecular Mass: 331.37118
• Monoisotopic Mass: 331.14331019
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC(Cn1cncc1)c1ccccc1
• Canonical SMILES: O=C(c1cccc2n1ncc2)NC(c1ccccc1)Cn1ccnc1
• InChI: InChI=1S/C19H17N5O/c25-19(18-8-4-7-16-9-10-21-24(16)18)22-17(13-23-12-11-20-14-23)15-5-2-1-3-6-15/h1-12,14,17H,13H2,(H,22,25)
• InChIKey: SKFJIJVPCYTMSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.738205
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.657461
• LogD (pH = 7.4): 2.1219206
• Log P: 2.1886675
• Molar Refractivity: 106.0538 cm^3
• Polarizability: 36.470963 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: 2.1
• LOG S: -3.41
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5