5-(2-fluorophenyl)-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2,4-triazin-3-amine

• ChemBase ID: 340929
• Molecular Formular: C18H15FN6
• Molecular Mass: 334.3503032
• Monoisotopic Mass: 334.13422273
• SMILES: c12n(cc(n1)CNc1nc(c3c(F)cccc3)cnn1)ccc(c2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)CNc1nncc(n1)c1ccccc1F
• InChI: InChI=1S/C18H15FN6/c1-12-6-7-25-11-13(22-17(25)8-12)9-20-18-23-16(10-21-24-18)14-4-2-3-5-15(14)19/h2-8,10-11H,9H2,1H3,(H,20,23,24)
• InChIKey: AWBHLFFJKISTJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2,4-triazin-3-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2,4-triazin-3-amine
• Synonyms: 5-(2-fluorophenyl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-triazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.81076
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.94805
• LogD (pH = 7.4): 2.4878836
• Log P: 2.5029774
• Molar Refractivity: 96.716 cm^3
• Polarizability: 35.559273 Å^3
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.09
• LOG S: -5.21
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4