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RIPK1-IN-3 5mg

CAT: 0628-A19023-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19023-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2242677-36-5

Chemical Information

Ripk1-IN-3
CAS Number2242677-36-5
PubChem CID138911341
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
Molecular FormulaC22H19F3N6O3
Molecular Weight472.4
XLogP3.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity701
SMILES
CC(C1=CC=CC=C1OC(F)(F)F)NC(=O)C2=C(N=CC(=C2)C3=CC4=NC(=NN4C=C3)N)OC
InChI
InChI=1S/C22H19F3N6O3/c1-12(15-5-3-4-6-17(15)34-22(23,24)25)28-19(32)16-9-14(11-27-20(16)33-2)13-7-8-31-18(10-13)29-21(26)30-31/h3-12H,1-2H3,(H2,26,30)(H,28,32)
InChIKey
PRNFQCKAJOAASO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ripk1-IN-3
CAS: 2242677-36-5
CID: 138911341
Formula: C22H19F3N6O3
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass472.14707298
Monoisotopic Mass472.14707298
Topological Polar Surface Area117 Ų
Heavy Atom Count34
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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