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GSK2656157 100mg

CAT: 0628-A13577-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13577-100Size:100 mg
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CAS Number
1337532-29-2

Chemical Information

Gsk2656157

GSK2656157 is a pyrrolopyrimidine that is 7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine which has been substituted at position 5 by a 4-fluoro-2,3-dihydro-1H-indol-5-yl group, the nitrogen of which has been acylated by a (6-methylpyridin-2-yl)acetyl group. An orally bioavailable PERK inhibitor. It has a role as a PERK inhibitor, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor and an antineoplastic agent. It is a tertiary carboxamide, a member of indoles, a member of methylpyridines, an organofluorine compound, a pyrrolopyrimidine and a biaryl.

CAS Number1337532-29-2
PubChem CID53469059
IUPAC Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(6-methyl-2-pyridinyl)ethanone
Molecular FormulaC23H21FN6O
Molecular Weight416.5
XLogP2.3
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity666
SMILES
CC1=NC(=CC=C1)CC(=O)N2CCC3=C2C=CC(=C3F)C4=CN(C5=NC=NC(=C45)N)C
InChI
InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27)
InChIKey
PRWSIEBRGXYXAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk2656157
CAS: 1337532-29-2
CID: 53469059
Formula: C23H21FN6O
MW: 416.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass416.17608748
Monoisotopic Mass416.17608748
Topological Polar Surface Area89.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity666
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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