N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-(1-propanoylpyrrolidin-2-yl)thiophene-2-carboxamide

• ChemBase ID: 537985
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1sc(C2N(C(=O)CC)CCC2)cc1
• Canonical SMILES: CCC(=O)N1CCCC1c1ccc(s1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H24N4O2S/c1-2-18(24)22-11-5-6-13(22)14-8-9-15(26-14)19(25)21-17-12-20-16-7-3-4-10-23(16)17/h8-9,12-13H,2-7,10-11H2,1H3,(H,21,25)
• InChIKey: XMBZPQXSWRNERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-(1-propanoylpyrrolidin-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-(1-propanoylpyrrolidin-2-yl)thiophene-2-carboxamide
• Synonyms: 5-(1-propionyl-2-pyrrolidinyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.085279
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7741405
• LogD (pH = 7.4): 2.4058924
• Log P: 2.4339764
• Molar Refractivity: 101.9593 cm^3
• Polarizability: 38.313087 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.51
• LOG S: -3.2
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4