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AMG-Tie2-1

CAT: 0862-GW5501-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GW5501-1mgSize:1 mg
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CAS Number
870223-96-4
Storage Conditions
+4°C
Hazardous Class
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Chemical Information

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CAS Number870223-96-4
PubChem CID16108977
IUPAC Name4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
Molecular FormulaC25H20F3N5O2
Molecular Weight479.5
XLogP5.1
Topological Polar Surface Area89
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity697
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC3=C(C=CC=N3)C4=NC(=NC=C4)NC
InChI
InChI=1S/C25H20F3N5O2/c1-15-8-9-16(22(34)32-18-6-3-5-17(14-18)25(26,27)28)13-21(15)35-23-19(7-4-11-30-23)20-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33)
InChIKey
ZVIWALRWYYSHSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CAS: 870223-96-4
CID: 16108977
Formula: C25H20F3N5O2
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass479.15690938
Monoisotopic Mass479.15690938
Topological Polar Surface Area89 Ų
Heavy Atom Count35
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes