3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

• ChemBase ID: 502265
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: n12c(nc(c1)CCC(=O)NC1CCN(Cc3sccc3)CC1)cccc2
• Canonical SMILES: O=C(NC1CCN(CC1)Cc1cccs1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H24N4OS/c25-20(7-6-17-14-24-10-2-1-5-19(24)21-17)22-16-8-11-23(12-9-16)15-18-4-3-13-26-18/h1-5,10,13-14,16H,6-9,11-12,15H2,(H,22,25)
• InChIKey: BSBPOYMHJGSNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[1-(2-thienylmethyl)piperidin-4-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.526101
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8211774
• LogD (pH = 7.4): 0.64142257
• Log P: 1.7966764
• Molar Refractivity: 105.0937 cm^3
• Polarizability: 40.107735 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.91
• LOG S: -3.52
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6