Azd 3514
1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
Molecular Identity
Azd 3514
1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
PubChem CID: 46893585
2D Structure
Properties
C25H32F3N7O2
Molecular Formula
519.60
Molecular Weight
g/mol
519.2570
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
79.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
805
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4Isomeric SMILES
SMILES: CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4Synonyms(20)
AZD35141240299-33-5AZD-3514AZD 3514CS-1443127DSS8X7JEthanone, 1-(4-(2-(4-(1-(7,8-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-b)pyridazin-6-yl)-4-piperidinyl)phenoxy)ethyl)-1-piperazinyl)-RefChem:1160411-(4-(2-(4-(1-(3-(Trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethanone1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanoneUNII-127DSS8X7JCHEMBL2346976AZD 3514 [WHO-DD]HY-160791-(4-(2-(4-(1-(3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)piperazin-1-yl)ethan-1-one
Data from PubChem (NCBI)
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