N-[2-chloro-4-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamido)phenyl]propanamide

• ChemBase ID: 420522
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: c12n(c(cn1)CC(=O)Nc1cc(c(NC(=O)CC)cc1)Cl)cccc2C
• Canonical SMILES: CCC(=O)Nc1ccc(cc1Cl)NC(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C19H19ClN4O2/c1-3-17(25)23-16-7-6-13(9-15(16)20)22-18(26)10-14-11-21-19-12(2)5-4-8-24(14)19/h4-9,11H,3,10H2,1-2H3,(H,22,26)(H,23,25)
• InChIKey: COSMHYCNSLPDRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-chloro-4-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamido)phenyl]propanamide
• IUPAC Traditional name: N-[2-chloro-4-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamido)phenyl]propanamide
• Synonyms: N-(2-chloro-4-{[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]amino}phenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.78297
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0130575
• LogD (pH = 7.4): 2.7560194
• Log P: 2.807313
• Molar Refractivity: 104.7347 cm^3
• Polarizability: 38.142563 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.01
• LOG S: -3.62
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 5