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JNJ-17029259

CAT: 0931-T27663-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27663-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
314267-57-7
Target
Others, VEGFR
Related Pathways
Tyrosine Kinase/Adaptors, Others, Angiogenesis
Bioactivity
JNJ-17029259 is an orally selective, potent inhibitors of the vascular endothelial growth factor receptor-2 (VEGF-R2) .
Smiles
C(#N)C=1C(=NC(NC2=CC=C(CCN3CCOCC3)C=C2)=NC1)C4=CC=C(C(C)(C)N)C=C4
Molecular Formula
C26H30N6O
Molecular Weight
442.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jnj-17029259
CAS Number314267-57-7
PubChem CID11464906
IUPAC Name4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-morpholin-4-ylethyl)anilino]pyrimidine-5-carbonitrile
Molecular FormulaC26H30N6O
Molecular Weight442.6
XLogP2.8
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity640
SMILES
CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCN4CCOCC4)N
InChI
InChI=1S/C26H30N6O/c1-26(2,28)22-7-5-20(6-8-22)24-21(17-27)18-29-25(31-24)30-23-9-3-19(4-10-23)11-12-32-13-15-33-16-14-32/h3-10,18H,11-16,28H2,1-2H3,(H,29,30,31)
InChIKey
MROGTPNQSHMKIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jnj-17029259
CAS: 314267-57-7
CID: 11464906
Formula: C26H30N6O
MW: 442.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass442.24810960
Monoisotopic Mass442.24810960
Topological Polar Surface Area100 Ų
Heavy Atom Count33
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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