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

• ChemBase ID: 860825
• Molecular Formular: C16H20N6O2
• Molecular Mass: 328.369
• Monoisotopic Mass: 328.16477391
• SMILES: c1(cn2c(nc(c2)C)cc1)C(=O)N(Cc1n(cnn1)CCOC)C
• Canonical SMILES: COCCn1cnnc1CN(C(=O)c1ccc2n(c1)cc(n2)C)C
• InChI: InChI=1S/C16H20N6O2/c1-12-8-22-9-13(4-5-14(22)18-12)16(23)20(2)10-15-19-17-11-21(15)6-7-24-3/h4-5,8-9,11H,6-7,10H2,1-3H3
• InChIKey: JANGLMHOKTYFKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5654361
• LogD (pH = 7.4): -0.936251
• Log P: -0.91566956
• Molar Refractivity: 92.4505 cm^3
• Polarizability: 33.28279 Å^3
• Polar Surface Area: 77.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.6
• LOG S: -2.39
• Polar Surface Area: 77.55 Å^2
• Rotatable Bonds: 6