N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 479417
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c1(nc2n(c1)cccc2C)C(=O)NC(Cn1cncc1)C(C)(C)C
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)NC(C(C)(C)C)Cn1cncc1
• InChI: InChI=1S/C18H23N5O/c1-13-6-5-8-23-10-14(20-16(13)23)17(24)21-15(18(2,3)4)11-22-9-7-19-12-22/h5-10,12,15H,11H2,1-4H3,(H,21,24)
• InChIKey: USDFWLLPORYDAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[1-(imidazol-1-yl)-3,3-dimethylbutan-2-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[1-(1H-imidazol-1-ylmethyl)-2,2-dimethylpropyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.73123
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7825375
• LogD (pH = 7.4): 2.254956
• Log P: 2.3221354
• Molar Refractivity: 94.3337 cm^3
• Polarizability: 35.34976 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: 2.32
• LOG S: -3.55
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5