3-(2-ethyl-1H-imidazol-1-yl)-N-{imidazo[1,2-a]pyridin-2-ylmethyl}propanamide

• ChemBase ID: 334527
• Molecular Formular: C16H19N5O
• Molecular Mass: 297.35496
• Monoisotopic Mass: 297.15896025
• SMILES: n1c2n(cc1CNC(=O)CCn1c(ncc1)CC)cccc2
• Canonical SMILES: CCc1nccn1CCC(=O)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C16H19N5O/c1-2-14-17-7-10-20(14)9-6-16(22)18-11-13-12-21-8-4-3-5-15(21)19-13/h3-5,7-8,10,12H,2,6,9,11H2,1H3,(H,18,22)
• InChIKey: VWBXZXSHZHQHCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethyl-1H-imidazol-1-yl)-N-{imidazo[1,2-a]pyridin-2-ylmethyl}propanamide
• IUPAC Traditional name: 3-(2-ethylimidazol-1-yl)-N-{imidazo[1,2-a]pyridin-2-ylmethyl}propanamide
• Synonyms: 3-(2-ethyl-1H-imidazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.281296
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9037976
• LogD (pH = 7.4): 0.41498736
• Log P: 0.62603056
• Molar Refractivity: 84.4488 cm^3
• Polarizability: 31.873829 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: 0.37
• LOG S: -1.69
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6