2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

• ChemBase ID: 312733
• Molecular Formular: C23H17FN6O
• Molecular Mass: 412.4190832
• Monoisotopic Mass: 412.14478741
• SMILES: C(=O)(c1c(cc(cc1)c1nn2c(nc1)ncc2Cc1cc2cccnc2cc1)F)NC
• Canonical SMILES: CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2
• InChI: InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)
• InChIKey: LIOLIMKSCNQPLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
• IUPAC Traditional name: 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
• Synonyms: INCB28060

Database IDs

• CAS Number: 1029712-80-8

CALCULATED PROPERTIES

• Acid pKa: 12.768576
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9207528
• LogD (pH = 7.4): 2.9637728
• Log P: 2.9643545
• Molar Refractivity: 125.2725 cm^3
• Polarizability: 44.758434 Å^3
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: c-Met

Product Information

• Salt Data: Free Base