N-benzyl-N-methyl-3-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 712502
• Molecular Formular: C24H25N5OS
• Molecular Mass: 431.5532
• Monoisotopic Mass: 431.17798145
• SMILES: c1(c(n2c(n1)cccc2)CN1C(c2nccs2)CCC1)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCCC1c1nccs1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C24H25N5OS/c1-27(16-18-8-3-2-4-9-18)24(30)22-20(29-14-6-5-11-21(29)26-22)17-28-13-7-10-19(28)23-25-12-15-31-23/h2-6,8-9,11-12,14-15,19H,7,10,13,16-17H2,1H3
• InChIKey: ZPIHXDTXYCPSAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-benzyl-N-methyl-3-{[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0673075
• LogD (pH = 7.4): 3.052478
• Log P: 3.1034493
• Molar Refractivity: 123.9033 cm^3
• Polarizability: 46.77222 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.77
• LOG S: -3.6
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 6