N,7-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 741802
• Molecular Formular: C15H15N3OS
• Molecular Mass: 285.3641
• Monoisotopic Mass: 285.09358312
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N(Cc1cscc1)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N(Cc1cscc1)C
• InChI: InChI=1S/C15H15N3OS/c1-11-3-5-18-9-13(16-14(18)7-11)15(19)17(2)8-12-4-6-20-10-12/h3-7,9-10H,8H2,1-2H3
• InChIKey: IIWGFKKXGXFYMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,7-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,7-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,7-dimethyl-N-(3-thienylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4569302
• LogD (pH = 7.4): 2.4616678
• Log P: 2.4617286
• Molar Refractivity: 81.1958 cm^3
• Polarizability: 29.823957 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.35
• LOG S: -3.62
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3