3-{imidazo[1,2-a]pyridin-2-yl}-N-{[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methyl}propanamide

• ChemBase ID: 461155
• Molecular Formular: C18H21N5OS
• Molecular Mass: 355.45724
• Monoisotopic Mass: 355.14668132
• SMILES: c1(nc(cs1)CNC(=O)CCc1nc2n(c1)cccc2)N1CCCC1
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCc1csc(n1)N1CCCC1
• InChI: InChI=1S/C18H21N5OS/c24-17(7-6-14-12-23-10-2-1-5-16(23)20-14)19-11-15-13-25-18(21-15)22-8-3-4-9-22/h1-2,5,10,12-13H,3-4,6-9,11H2,(H,19,24)
• InChIKey: SXWIQFVXIMQGKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-{[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methyl}propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-{[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]methyl}propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.097506
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0555875
• LogD (pH = 7.4): 1.767968
• Log P: 1.795345
• Molar Refractivity: 98.8818 cm^3
• Polarizability: 37.014565 Å^3
• Polar Surface Area: 62.53 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: 0.52
• LOG S: -2.24
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6