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GSK1070916 5mg

CAT: 0628-A11168-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A11168-5Size:5 mg
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CAS Number
942918-07-2

Chemical Information

Gsk-1070916

3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-3-pyrazolyl]phenyl]-1,1-dimethylurea is a member of pyrazoles and a ring assembly.

CAS Number942918-07-2
PubChem CID46885626
IUPAC Name3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea
Molecular FormulaC30H33N7O
Molecular Weight507.6
XLogP3.9
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity770
SMILES
CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C
InChI
InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
InChIKey
QTBWCSQGBMPECM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-1070916
CAS: 942918-07-2
CID: 46885626
Formula: C30H33N7O
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass507.27465870
Monoisotopic Mass507.27465870
Topological Polar Surface Area82.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity770
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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