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PF-04880594 10mg

CAT: 0628-A12739-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12739-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1111636-35-1

Chemical Information

PF-04880594

a RAF inhibitor; structure in first source

CAS Number1111636-35-1
PubChem CID53356806
IUPAC Name3-[[4-[1-(2,2-difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile
Molecular FormulaC19H16F2N8
Molecular Weight394.4
XLogP2.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity584
SMILES
C1=CNC2=NC=C(C=C21)C3=NN(C=C3C4=NC(=NC=C4)NCCC#N)CC(F)F
InChI
InChI=1S/C19H16F2N8/c20-16(21)11-29-10-14(15-3-7-25-19(27-15)24-5-1-4-22)17(28-29)13-8-12-2-6-23-18(12)26-9-13/h2-3,6-10,16H,1,5,11H2,(H,23,26)(H,24,25,27)
InChIKey
HFYMVDKBZONUOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-04880594
CAS: 1111636-35-1
CID: 53356806
Formula: C19H16F2N8
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass394.14659887
Monoisotopic Mass394.14659887
Topological Polar Surface Area108 Ų
Heavy Atom Count29
Formal Charge0
Complexity584
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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