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HPK1-IN-11

CAT: 0931-T62742-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62742-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2734167-68-9
Target
Others, MAPK
Related Pathways
Others, MAPK
Bioactivity
HPK1-IN-11 is a potent HPK1 inhibitor. HPK1-IN-11 has potential for the study of HPK1-related diseases.
Smiles
C(#N)C=1C=C2C(C(=NN2)C=3C=C4C(=CC3)N5C(CO4)CN(C)CC5)=CC1C6=C(OC)C=CC=C6
Molecular Formula
C27H25N5O2
Molecular Weight
451.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hpk1-IN-11
CAS Number2734167-68-9
PubChem CID162679275
IUPAC Name5-(2-methoxyphenyl)-3-(3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)-1H-indazole-6-carbonitrile
Molecular FormulaC27H25N5O2
Molecular Weight451.5
XLogP4.3
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity771
SMILES
CN1CCN2C(C1)COC3=C2C=CC(=C3)C4=NNC5=C4C=C(C(=C5)C#N)C6=CC=CC=C6OC
InChI
InChI=1S/C27H25N5O2/c1-31-9-10-32-19(15-31)16-34-26-12-17(7-8-24(26)32)27-22-13-21(18(14-28)11-23(22)29-30-27)20-5-3-4-6-25(20)33-2/h3-8,11-13,19H,9-10,15-16H2,1-2H3,(H,29,30)
InChIKey
WAYLJBYFOHIPAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-11
CAS: 2734167-68-9
CID: 162679275
Formula: C27H25N5O2
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass451.20082506
Monoisotopic Mass451.20082506
Topological Polar Surface Area77.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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