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JAK-IN-1 10mg

CAT: 0628-A21237-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21237-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334673-53-8

Chemical Information

Jak-IN-1
CAS Number1334673-53-8
PubChem CID54589404
IUPAC NameN-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Molecular FormulaC20H24N6O2
Molecular Weight380.4
XLogP1
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity685
SMILES
CC(C)(C)[C@H](C(=O)N1CC(C1)C#N)NC(=O)C2=CNC3=NC=C(N=C23)C4CC4
InChI
InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
InChIKey
SIEMFXMJGAMFQR-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Jak-IN-1
CAS: 1334673-53-8
CID: 54589404
Formula: C20H24N6O2
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass380.19607403
Monoisotopic Mass380.19607403
Topological Polar Surface Area115 Ų
Heavy Atom Count28
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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