C1COCCN1CC2=C(C(=C3N2N=CN=C3N)C4=CC=C(C=C4)NC(=O)NC5=NC=CC(=C5)C(F)(F)F)C=O
Name: 1-[4-[4-amino-6-formyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]urea
SMILES: C1COCCN1CC2=C(C(=C3N2N=CN=C3N)C4=CC=C(C=C4)NC(=O)NC5=NC=CC(=C5)C(F)(F)F)C=O

Molecular Processing

Molecular formula
C25H23F3N8O3
Molecular weight
540.51
Exact mass
540.1845
XLogP
3.68
TPSA
139.77
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
136.2

Supplementary Information

InChIKey: AEVUBOZXPZLSPK-UHFFFAOYSA-N
Synonyme
N-{4-[4-amino-6-formyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f]-[1,2,4]triazin-5-yl]phenyl}-N'-[4-(trifluoro-methyl)pyridin-2-yl]ureaSCHEMBL275166n-{4-[4-amino-6-formyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-n'-[4-(trifluoro-methyl)pyridin-2-yl]urea
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