3-{4-[4-amino-6-(methoxymethyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl}-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea

CAS: 939805-30-8

Formula: C27H26F5N7O3

SMILES: COCC1=C(CN2CCOCC2)N2N=CN=C(N)C2=C1C1=CC(F)=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1

IUPAC: 3-{4-[4-amino-6-(methoxymethyl)-7-[(morpholin-4-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl}-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea

InChI: InChI=1S/C27H26F5N7O3/c1-41-13-17-22(12-38-6-8-42-9-7-38)39-24(25(33)34-14-35-39)23(17)15-2-5-20(19(29)10-15)36-26(40)37-21-11-16(27(30,31)32)3-4-18(21)28/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,33,34,35)(H2,36,37,40)

Composition: C (54.82%), H (4.43%), F (16.06%), N (16.58%), O (8.11%)

Molar Mass: 591.543

Atom Count: 68

Heavy Atom Count: 42