GSK1614343   Click here for help

GtoPdb Ligand ID: 5870

Synonyms: GSK 1614343 | GSK-1614343
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 60.5
Molecular weight 487.18
XLogP 3.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(c1cccnc1)N1CCN2C(C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric SMILES O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI InChI=1S/C22H23F6N5O/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-31-20(34)19(14-3-1-5-29-12-14)33-8-7-32-6-2-4-18(32)13-33/h1,3,5,9-12,18-19,30H,2,4,6-8,13H2,(H,31,34)/t18-,19-/m1/s1
InChI Key QNOSCJDGJKVFJR-RTBURBONSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N'-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-ylacetohydrazide
Synonyms Click here for help
GSK 1614343 | GSK-1614343
Database Links Click here for help
GtoPdb PubChem SID 178102494
PubChem CID 25124566
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