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DLK-IN-1

CAT: 0607-BA6475-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6475-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1620574-24-4
Form
A solid
Molecular Formula
C20H24F3N5O2
Molecular Weight
423.43
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Dlk-IN-1
CAS Number1620574-24-4
PubChem CID90292823
IUPAC Name5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
Molecular FormulaC20H24F3N5O2
Molecular Weight423.4
XLogP2.2
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity622
SMILES
CC(C)N1C(=CC(=N1)C2=CC(=C(N=C2)N)OC(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5
InChI
InChI=1S/C20H24F3N5O2/c1-10(2)28-16(18-13-6-27(7-14(13)18)12-8-29-9-12)4-15(26-28)11-3-17(19(24)25-5-11)30-20(21,22)23/h3-5,10,12-14,18H,6-9H2,1-2H3,(H2,24,25)/t13-,14+,18?
InChIKey
UHEFRVBGJORHNV-UUVAVEHKSA-N
Chemical Structure
2D Structure
2D structure of Dlk-IN-1
CAS: 1620574-24-4
CID: 90292823
Formula: C20H24F3N5O2
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass423.18820951
Monoisotopic Mass423.18820951
Topological Polar Surface Area78.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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