N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 864449
• Molecular Formular: C20H17FN6O2
• Molecular Mass: 392.3863832
• Monoisotopic Mass: 392.13970203
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCc1nc(cc(n1)O)N
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1)cc(cc2)C(=O)NCCc1nc(N)cc(n1)O
• InChI: InChI=1S/C20H17FN6O2/c21-14-4-1-12(2-5-14)15-11-27-10-13(3-6-18(27)24-15)20(29)23-8-7-17-25-16(22)9-19(28)26-17/h1-6,9-11H,7-8H2,(H,23,29)(H3,22,25,26,28)
• InChIKey: MAKRXKBVBPQVOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.069196
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 2.6003873
• LogD (pH = 7.4): 2.7917776
• Log P: 2.7949
• Molar Refractivity: 107.6874 cm^3
• Polarizability: 39.973946 Å^3
• Polar Surface Area: 118.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.16
• LOG S: -3.05
• Polar Surface Area: 118.43 Å^2
• Rotatable Bonds: 5