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Syk-IN-4

CAT: 0607-BA9028-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9028-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2932264-95-2
Form
A solid
Molecular Formula
C21H25N9O
Molecular Weight
419.48
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Syk-IN-4
CAS Number2932264-95-2
PubChem CID154573768
IUPAC Name5-[[4-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
Molecular FormulaC21H25N9O
Molecular Weight419.5
XLogP1.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity620
SMILES
CC1=NN(C=C1CN(C)C)C2=NC(=NC=C2)NC3=CC4=C(C=C3)N(N=C4C(=O)NC)C
InChI
InChI=1S/C21H25N9O/c1-13-14(11-28(3)4)12-30(26-13)18-8-9-23-21(25-18)24-15-6-7-17-16(10-15)19(20(31)22-2)27-29(17)5/h6-10,12H,11H2,1-5H3,(H,22,31)(H,23,24,25)
InChIKey
IXNQUCOVJRJRGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Syk-IN-4
CAS: 2932264-95-2
CID: 154573768
Formula: C21H25N9O
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass419.21820645
Monoisotopic Mass419.21820645
Topological Polar Surface Area106 Ų
Heavy Atom Count31
Formal Charge0
Complexity620
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