6-methyl-N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 418343
• Molecular Formular: C22H23N5O
• Molecular Mass: 373.45092
• Monoisotopic Mass: 373.19026038
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NC(CCn1c(ncc1)C)c1ccccc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NC(c1ccccc1)CCn1ccnc1C
• InChI: InChI=1S/C22H23N5O/c1-16-8-9-21-24-20(15-27(21)14-16)22(28)25-19(18-6-4-3-5-7-18)10-12-26-13-11-23-17(26)2/h3-9,11,13-15,19H,10,12H2,1-2H3,(H,25,28)
• InChIKey: MJBSICRHEPPCIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.74577
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5854211
• LogD (pH = 7.4): 2.362302
• Log P: 2.6073291
• Molar Refractivity: 110.1101 cm^3
• Polarizability: 41.177525 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -4.58
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6