4-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide

• ChemBase ID: 422242
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(CN2C[C@H](CC2)O)cc1
• Canonical SMILES: O[C@H]1CCN(C1)Cc1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H24N4O2/c24-16-8-10-22(13-16)12-14-4-6-15(7-5-14)19(25)21-18-11-20-17-3-1-2-9-23(17)18/h4-7,11,16,24H,1-3,8-10,12-13H2,(H,21,25)/t16-/m0/s1
• InChIKey: BXWNHYMVFLYJFF-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• IUPAC Traditional name: 4-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}benzamide
• Synonyms: 4-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902316
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2711499
• LogD (pH = 7.4): 0.119873054
• Log P: 1.2537607
• Molar Refractivity: 98.0349 cm^3
• Polarizability: 36.85464 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.41
• LOG S: -2.89
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 4