N-{2-methyl-3-[({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)carbamoyl]phenyl}oxolane-2-carboxamide

• ChemBase ID: 792314
• Molecular Formular: C22H24N4O3
• Molecular Mass: 392.45096
• Monoisotopic Mass: 392.18484065
• SMILES: c12n(cc(n1)CNC(=O)c1c(c(NC(=O)C3OCCC3)ccc1)C)cccc2C
• Canonical SMILES: O=C(C1CCCO1)Nc1cccc(c1C)C(=O)NCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C22H24N4O3/c1-14-6-4-10-26-13-16(24-20(14)26)12-23-21(27)17-7-3-8-18(15(17)2)25-22(28)19-9-5-11-29-19/h3-4,6-8,10,13,19H,5,9,11-12H2,1-2H3,(H,23,27)(H,25,28)
• InChIKey: NSXIQRAQLBAXMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methyl-3-[({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)carbamoyl]phenyl}oxolane-2-carboxamide
• IUPAC Traditional name: N-{2-methyl-3-[({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)carbamoyl]phenyl}oxolane-2-carboxamide
• Synonyms: N-[2-methyl-3-({[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino}carbonyl)phenyl]tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.726656
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6429349
• LogD (pH = 7.4): 2.3234298
• Log P: 2.3479962
• Molar Refractivity: 112.687 cm^3
• Polarizability: 41.459774 Å^3
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.46
• LOG S: -5.5
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 5