1-[2-(dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one

• ChemBase ID: 729855
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(C2N(C(=O)Cc3n4c(nc3)c(ccc4)C)CCC2)c(onc1C)C
• Canonical SMILES: O=C(N1CCCC1c1c(C)noc1C)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C19H22N4O2/c1-12-6-4-8-22-15(11-20-19(12)22)10-17(24)23-9-5-7-16(23)18-13(2)21-25-14(18)3/h4,6,8,11,16H,5,7,9-10H2,1-3H3
• InChIKey: OFJQHHHFMKTTAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
• IUPAC Traditional name: 1-[2-(dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}ethanone
• Synonyms: 3-{2-[2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl}-8-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5623322
• LogD (pH = 7.4): 1.3053477
• Log P: 1.3566443
• Molar Refractivity: 96.7853 cm^3
• Polarizability: 35.688602 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -3.97
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3