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AG-13958

CAT: 0607-BA9054-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9054-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
319460-94-1
Form
A solid
Molecular Formula
C26H22FN7O
Molecular Weight
467.50
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CAS Number319460-94-1
PubChem CID9934283
IUPAC NameN-[2-fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide
Molecular FormulaC26H22FN7O
Molecular Weight467.5
XLogP4.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity753
SMILES
CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)NC3=CC4=C(C=C3)C(=NN4)/C=C/C5=CC=CC=N5)F)C
InChI
InChI=1S/C26H22FN7O/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17/h3-15,29H,1-2H3,(H,30,35)(H,31,32)/b11-8+
InChIKey
JXSVVZKPEDIRTN-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CAS: 319460-94-1
CID: 9934283
Formula: C26H22FN7O
MW: 467.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass467.18698651
Monoisotopic Mass467.18698651
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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