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

• ChemBase ID: 866275
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: N1(C(=O)CC(C(=O)NCc2nc3n(c2)cccc3)C1)Cc1ncccc1
• Canonical SMILES: O=C(C1CN(C(=O)C1)Cc1ccccn1)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C19H19N5O2/c25-18-9-14(11-24(18)12-15-5-1-3-7-20-15)19(26)21-10-16-13-23-8-4-2-6-17(23)22-16/h1-8,13-14H,9-12H2,(H,21,26)
• InChIKey: AKJMYZMCERJVQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.805541
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.93358374
• LogD (pH = 7.4): -0.3943571
• Log P: -0.3800266
• Molar Refractivity: 95.8617 cm^3
• Polarizability: 36.568253 Å^3
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.65
• LOG S: -1.0
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 5