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GDC 0879

CAT: 0926-FH43320-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FH43320-02Size:50 mg
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CAS Number
905281-76-7
Synonyms
AR 00341677; (E) -5- (1- (2-Hydroxyethyl) -3- (pyridin-4-yl) -1H-pyrazol-4-yl) -2,3-dihydroinden-1-one oxime
MDL Number
MFCD16875916
Smiles
C1C/C (=N\O) /C2=C1C=C (C=C2) C3=CN (N=C3C4=CC=NC=C4) CCO
Controlled
No

Chemical Information

Gdc-0879

GDC-0879 is a member of the class of pyrazoles that is 1-(2-hydroxyethyl)pyrazole carrying additional 4-pyridyl and 1-(hydroxyimino)indan-5-yl substituents at positions 3 and 4 respectively. It has a role as an antineoplastic agent and a B-Raf inhibitor. It is a primary alcohol, a ketoxime, a member of pyrazoles, a member of pyridines and a member of indanes.

CAS Number905281-76-7
PubChem CID11717001
IUPAC Name2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol
Molecular FormulaC19H18N4O2
Molecular Weight334.4
XLogP1.7
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity480
SMILES
C1C/C(=N\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO
InChI
InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+
InChIKey
DEZZLWQELQORIU-RELWKKBWSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0879
CAS: 905281-76-7
CID: 11717001
Formula: C19H18N4O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass334.14297583
Monoisotopic Mass334.14297583
Topological Polar Surface Area83.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity480
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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