Tinlarebant
1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
Molecular Identity
Tinlarebant
1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID: 92044505
2D Structure
Properties
C21H21F5N4O2
Molecular Formula
456.40
Molecular Weight
g/mol
456.1585
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
69.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
715
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)N1CCC2=C(C1)NN=C2C(=O)N3CCC(CC3)C4=C(C(=C(C=C4)F)F)C(F)(F)FIsomeric SMILES
SMILES: CC(=O)N1CCC2=C(C1)NN=C2C(=O)N3CCC(CC3)C4=C(C(=C(C=C4)F)F)C(F)(F)FSynonyms(20)
TinlarebantBPN-14967Tinlarebant [USAN]LBS-00863WI9S8P1MUNII-63WI9S8P1MTINLAREBANT [INN]Tinlarebant (USAN)1-(3-(4-(3,4-Difluoro-2-(trifluoromethyl)phenyl)piperidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo(3,4-C)pyridin-6-yl)ethan-1-one1-(3-{4-[3,4-Difluoro-2-(Trifluoromethyl)Phenyl]Piperidine-1-Carbonyl}-1H,4H,5H,6H,7H-Pyrazolo[3,4-C]Pyridin-6-Yl)Ethan-1-OneRefChem:1900681821327-95-0WHO 11058Ethanone, 1-(3-((4-(3,4-difluoro-2-(trifluoromethyl)phenyl)-1-piperidinyl)carbonyl)-1,4,5,7-tetrahydro-6H-pyrazolo(3,4-C)pyridin-6-yl)1-(3-(4-(3,4-difluoro-2-(trifluoromethyl)phenyl)piperidine-1-carbonyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)ethan-1-one
Data from PubChem (NCBI)
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