2-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)-1,3-thiazole

• ChemBase ID: 567602
• Molecular Formular: C21H18N4OS
• Molecular Mass: 374.45882
• Monoisotopic Mass: 374.12013222
• SMILES: c1(C(=O)N2C(c3nccs3)CCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: O=C(N1CCCC1c1nccs1)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C21H18N4OS/c26-21(25-11-4-7-18(25)20-22-10-12-27-20)16-8-9-19-23-17(14-24(19)13-16)15-5-2-1-3-6-15/h1-3,5-6,8-10,12-14,18H,4,7,11H2
• InChIKey: ZNNOVXWEMDJGEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-2-yl)-1,3-thiazole
• Synonyms: 2-phenyl-6-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.9780333
• LogD (pH = 7.4): 3.1618302
• Log P: 3.1648037
• Molar Refractivity: 106.0067 cm^3
• Polarizability: 41.073708 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.32
• LOG S: -3.91
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3