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Izencitinib

CAT: 0607-BA4901-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4901-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2051918-33-1
Form
A solid
Molecular Formula
C22H26N8
Molecular Weight
402.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Izencitinib

See also: Izencitinib (annotation moved to).

CAS Number2051918-33-1
PubChem CID124090478
IUPAC Name3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
Molecular FormulaC22H26N8
Molecular Weight402.5
XLogP3.2
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity620
SMILES
CC1=CC(=NN1)NC2=NC(=C3C=CC=NC3=C2)NC4C[C@H]5CC[C@@H](C4)N5CCC#N
InChI
InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15?,16-,17+
InChIKey
DADAEARVGOQWHV-ALOPSCKCSA-N
Chemical Structure
2D Structure
2D structure of Izencitinib
CAS: 2051918-33-1
CID: 124090478
Formula: C22H26N8
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass402.22804286
Monoisotopic Mass402.22804286
Topological Polar Surface Area106 Ų
Heavy Atom Count30
Formal Charge0
Complexity620
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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CatalogName
T35898-01Izencitinib

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