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

• ChemBase ID: 433934
• Molecular Formular: C18H21N5O2
• Molecular Mass: 339.39164
• Monoisotopic Mass: 339.16952494
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1CN(C(=O)C1)Cc1cnccc1
• Canonical SMILES: O=C(C1CC(=O)N(C1)Cc1cccnc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H21N5O2/c24-17-8-14(12-22(17)11-13-4-3-6-19-9-13)18(25)21-16-10-20-15-5-1-2-7-23(15)16/h3-4,6,9-10,14H,1-2,5,7-8,11-12H2,(H,21,25)
• InChIKey: LJYAZHLIPKHVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• Synonyms: 5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.694291
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7986463
• LogD (pH = 7.4): -0.078439355
• Log P: -0.04704526
• Molar Refractivity: 93.0153 cm^3
• Polarizability: 35.07204 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.29
• LOG S: -1.44
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4