N,N-dimethyl-5-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 758810
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: c1(c2CN(C(=O)c3nc4n(c3)cc(cc4)C)CCc2on1)C(=O)N(C)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N1CCc2c(C1)c(no2)C(=O)N(C)C
• InChI: InChI=1S/C18H19N5O3/c1-11-4-5-15-19-13(10-23(15)8-11)17(24)22-7-6-14-12(9-22)16(20-26-14)18(25)21(2)3/h4-5,8,10H,6-7,9H2,1-3H3
• InChIKey: VZPBJVRGSYIZRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: N,N-dimethyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.45197004
• LogD (pH = 7.4): 0.46074983
• Log P: 0.460863
• Molar Refractivity: 97.3293 cm^3
• Polarizability: 34.86797 Å^3
• Polar Surface Area: 83.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.59
• LOG S: -1.73
• Polar Surface Area: 83.95 Å^2
• Rotatable Bonds: 2