Decoglurant
5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
Molecular Identity
Decoglurant
5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
PubChem CID: 71533696
2D Structure
Properties
C21H11F6N5
Molecular Formula
447.30
Molecular Weight
g/mol
447.0919
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
69.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
720
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#CC4=CN=C(C=C4)N)C(F)(F)FIsomeric SMILES
SMILES: C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#CC4=CN=C(C=C4)N)C(F)(F)FSynonyms(20)
Decoglurant911115-16-75-((7-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)ethynyl)pyridin-2-amineMFCD285020845-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine5VX4P0JKC5RO4995819RO-4995819UNII-5VX4P0JKC55-(2-(7-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)ethynyl)pyridin-2-amineDecoglurant [INN]Decoglurant [USAN:INN]DecogluranDecoglurant?5-(2-{7-(Trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}ethynyl)pyridin-2-amine
Data from PubChem (NCBI)
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