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HPK1-IN-7

CAT: 0926-VSD46265-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-VSD46265-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2320462-65-3
Smiles
CC1 (C2=C (C=CC (=C2) NC3=NC=C (C (=N3) NC (CO) C4=CC=CC=C4) C5=NN=CO5) C (=O) O1) C
Molecular Formula
C24H22N6O4
Molecular Weight
458.5 g/mol
Controlled
No

Chemical Information

Hpk1-IN-7
CAS Number2320462-65-3
PubChem CID142587219
IUPAC Name5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
Molecular FormulaC24H22N6O4
Molecular Weight458.5
XLogP2.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity705
SMILES
CC1(C2=C(C=CC(=C2)NC3=NC=C(C(=N3)N[C@H](CO)C4=CC=CC=C4)C5=NN=CO5)C(=O)O1)C
InChI
InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1
InChIKey
RVSSNRBUPQUIEG-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Hpk1-IN-7
CAS: 2320462-65-3
CID: 142587219
Formula: C24H22N6O4
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass458.17025320
Monoisotopic Mass458.17025320
Topological Polar Surface Area135 Ų
Heavy Atom Count34
Formal Charge0
Complexity705
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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