6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

• ChemBase ID: 313199
• Molecular Formular: C23H21N7O
• Molecular Mass: 411.45914
• Monoisotopic Mass: 411.18075833
• SMILES: c1(ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
• InChIKey: XSMSNFMDVXXHGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
• IUPAC Traditional name: 6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
• Synonyms: GS-9973

Database IDs

• CAS Number: 1229208-44-9

CALCULATED PROPERTIES

• Acid pKa: 11.73516
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.8087215
• LogD (pH = 7.4): 2.8217523
• Log P: 2.8219414
• Molar Refractivity: 120.8616 cm^3
• Polarizability: 46.880337 Å^3
• Polar Surface Area: 83.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Syk

Product Information

• Salt Data: Free Base