N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 619955
• Molecular Formular: C15H18N6O2
• Molecular Mass: 314.34242
• Monoisotopic Mass: 314.14912385
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCc1n(cnn1)CCOC
• Canonical SMILES: COCCn1cnnc1CCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C15H18N6O2/c1-23-9-8-21-11-18-19-14(21)4-5-17-15(22)12-2-3-13-16-6-7-20(13)10-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,17,22)
• InChIKey: PKPRNFLPUNHSJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.272355
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6664548
• LogD (pH = 7.4): -1.0586528
• Log P: -1.0337031
• Molar Refractivity: 87.6617 cm^3
• Polarizability: 31.525307 Å^3
• Polar Surface Area: 86.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.47
• LOG S: -2.4
• Polar Surface Area: 86.34 Å^2
• Rotatable Bonds: 7