N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,6-dimethoxypyrimidine-4-carboxamide

• ChemBase ID: 644876
• Molecular Formular: C14H17N5O3
• Molecular Mass: 303.31648
• Monoisotopic Mass: 303.13313943
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1nc(nc(c1)OC)OC
• Canonical SMILES: COc1nc(OC)nc(c1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H17N5O3/c1-21-12-7-9(16-14(18-12)22-2)13(20)17-11-8-15-10-5-3-4-6-19(10)11/h7-8H,3-6H2,1-2H3,(H,17,20)
• InChIKey: UEIOLELKBAFJMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,6-dimethoxypyrimidine-4-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2,6-dimethoxypyrimidine-4-carboxamide
• Synonyms: 2,6-dimethoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.985821
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.81976223
• LogD (pH = 7.4): 1.445678
• Log P: 1.4745051
• Molar Refractivity: 80.1115 cm^3
• Polarizability: 29.5937 Å^3
• Polar Surface Area: 91.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.98
• LOG S: -3.1
• Polar Surface Area: 91.16 Å^2
• Rotatable Bonds: 4