[3-(4-methyl-1,3-thiazol-5-yl)propyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 636233
• Molecular Formular: C20H25N5OS
• Molecular Mass: 383.5104
• Monoisotopic Mass: 383.17798145
• SMILES: c1(nc2n(c1CNCCCc1c(ncs1)C)cccc2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCCc1scnc1C)cccc2)N1CCCC1
• InChI: InChI=1S/C20H25N5OS/c1-15-17(27-14-22-15)7-6-9-21-13-16-19(20(26)24-10-4-5-11-24)23-18-8-2-3-12-25(16)18/h2-3,8,12,14,21H,4-7,9-11,13H2,1H3
• InChIKey: RTBLXBFMQFPKPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-methyl-1,3-thiazol-5-yl)propyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [3-(4-methyl-1,3-thiazol-5-yl)propyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 3-(4-methyl-1,3-thiazol-5-yl)-N-{[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-propanamine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2560283
• LogD (pH = 7.4): 0.3117566
• Log P: 1.707845
• Molar Refractivity: 108.8093 cm^3
• Polarizability: 40.71002 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 1
• Log P: 1.29
• LOG S: -4.48