Jnj-54175446
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
Molecular Identity
Jnj-54175446
[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID: 90409366
2D Structure
Properties
C18H13ClF4N6O
Molecular Formula
440.80
Molecular Weight
g/mol
440.0775
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
76.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
634
Complexity
SMILES
Canonical SMILES
SMILES: CC1C2=C(CCN1C(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl)N(N=N2)C4=NC=C(C=N4)FIsomeric SMILES
SMILES: C[C@@H]1C2=C(CCN1C(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl)N(N=N2)C4=NC=C(C=N4)FSynonyms(20)
JNJ-541754461627902-21-932524GLF40Methanone, (2-chloro-3-(trifluoromethyl)phenyl)((4R)-1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo(4,5-C)pyridin-5-yl)-Methanone, (2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoro-2-pyrimidinyl)-1,4,6,7-tetrahydro-4-methyl-5H-1,2,3-triazolo(4,5-c)pyridin-5-yl)-RefChem:1505532-((4R)-5-(2-chloro-3-(trifluoromethyl)benzoyl)-4-methyl-1H,4H,5H,6H,7H-(1,2,3)triazolo(4,5-c)pyridin-1-yl)-5-fluoropyrimidine(r)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanoneMFCD31556312(R)-(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanoneA1L0IC18H13ClF4N6Oorb1707157CHEMBL4079239
Data from PubChem (NCBI)
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