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

• ChemBase ID: 399339
• Molecular Formular: C18H21N5O2
• Molecular Mass: 339.39164
• Monoisotopic Mass: 339.16952494
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1CN(C(=O)C1)Cc1ncccc1
• Canonical SMILES: O=C(C1CC(=O)N(C1)Cc1ccccn1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H21N5O2/c24-17-9-13(11-22(17)12-14-5-1-3-7-19-14)18(25)21-16-10-20-15-6-2-4-8-23(15)16/h1,3,5,7,10,13H,2,4,6,8-9,11-12H2,(H,21,25)
• InChIKey: IVFWDSZKMKOKRQ-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-2-ylmethyl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• Synonyms: 5-oxo-1-(pyridin-2-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): -0.66258633
• LogD (pH = 7.4): 0.003814645
• Log P: 0.03442663
• Molar Refractivity: 92.4931 cm^3
• Polarizability: 35.07287 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