Tradipitant
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
Molecular Identity
Tradipitant
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
PubChem CID: 9916461
2D Structure
Properties
C28H16ClF6N5O
Molecular Formula
587.90
Molecular Weight
g/mol
587.0948
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
73.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
11
H-Bond Acceptors
865
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)ClIsomeric SMILES
SMILES: C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)ClSynonyms(20)
Tradipitant622370-35-8LY686017LY-686017VLY-686NY0COC51FI[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanoneDTXSID801045805Methanone, (2-(1-((3,5-bis(trifluoromethyl)phenyl)methyl)-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl)-3-pyridinyl)(2-chlorophenyl)-tradipitantum(2-(1-((3,5-bis(trifluoromethyl)phenyl)methyl)-5-pyridin-4-yltriazol-4-yl)pyridin-3-yl)-(2-chlorophenyl)methanoneMethanone, [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]-3-pyridinyl](2-chlorophenyl)-RefChem:933246DTXCID6015277342-(1-((3,5-bis(trifluoromethyl)phenyl)methyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-3-(2-chlorobenzoyl)pyridine
Data from PubChem (NCBI)
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