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TrkA-IN-3

CAT: 0607-BA8581-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8581-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3026111-73-6
Form
A solid
Molecular Formula
C24H17F3N4O3
Molecular Weight
466.41
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

TrkA-IN-3
CAS Number3026111-73-6
PubChem CID166176996
IUPAC Name5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid
Molecular FormulaC24H17F3N4O3
Molecular Weight466.4
XLogP3.7
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity731
SMILES
CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)NC3=C(N=CC(=C3)C(=O)O)C4=CC=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H17F3N4O3/c1-31-10-9-19(30-31)17-11-15(7-8-18(17)24(25,26)27)22(32)29-20-12-16(23(33)34)13-28-21(20)14-5-3-2-4-6-14/h2-13H,1H3,(H,29,32)(H,33,34)
InChIKey
MLKKBTKDOPHWET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TrkA-IN-3
CAS: 3026111-73-6
CID: 166176996
Formula: C24H17F3N4O3
MW: 466.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass466.12527490
Monoisotopic Mass466.12527490
Topological Polar Surface Area97.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity731
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

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