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

• ChemBase ID: 592433
• Molecular Formular: C22H26N4O3
• Molecular Mass: 394.46684
• Monoisotopic Mass: 394.20049071
• SMILES: c12n(c(cn1)CC(=O)Nc1cc(c(NC(=O)CC(C)C)cc1)OC)cccc2C
• Canonical SMILES: COc1cc(ccc1NC(=O)CC(C)C)NC(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C22H26N4O3/c1-14(2)10-20(27)25-18-8-7-16(11-19(18)29-4)24-21(28)12-17-13-23-22-15(3)6-5-9-26(17)22/h5-9,11,13-14H,10,12H2,1-4H3,(H,24,28)(H,25,27)
• InChIKey: NFZYDJDRGVEREL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.527765
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9829292
• LogD (pH = 7.4): 2.7258897
• Log P: 2.7771847
• Molar Refractivity: 115.5427 cm^3
• Polarizability: 42.447536 Å^3
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.27
• LOG S: -4.01
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 7