5-(1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-imidazol-2-yl)-2-(pyrrolidin-1-yl)-1,3-thiazole

• ChemBase ID: 413386
• Molecular Formular: C18H18N6S
• Molecular Mass: 350.44072
• Monoisotopic Mass: 350.13136561
• SMILES: c1(c2n(Cc3nc4n(c3)cccc4)ccn2)sc(nc1)N1CCCC1
• Canonical SMILES: C1CCN(C1)c1ncc(s1)c1nccn1Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C18H18N6S/c1-2-9-23-12-14(21-16(23)5-1)13-24-10-6-19-17(24)15-11-20-18(25-15)22-7-3-4-8-22/h1-2,5-6,9-12H,3-4,7-8,13H2
• InChIKey: DPWGUXMEGVTLJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-imidazol-2-yl)-2-(pyrrolidin-1-yl)-1,3-thiazole
• IUPAC Traditional name: 5-(1-{imidazo[1,2-a]pyridin-2-ylmethyl}imidazol-2-yl)-2-(pyrrolidin-1-yl)-1,3-thiazole
• Synonyms: 2-{[2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1H-imidazol-1-yl]methyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7910695
• LogD (pH = 7.4): 2.5298612
• Log P: 2.5490608
• Molar Refractivity: 109.4153 cm^3
• Polarizability: 37.285316 Å^3
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.93
• LOG S: -2.55
• Polar Surface Area: 51.25 Å^2
• Rotatable Bonds: 4