Irafamdastat
(5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
Molecular Identity
Irafamdastat
(5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
PubChem CID: 139318505
2D Structure
Properties
C20H21F3N4O4
Molecular Formula
438.40
Molecular Weight
g/mol
438.1515
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
98
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
636
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CCN1C(=O)OC2=CN=CC(=C2)C(=O)N)CC3=CC(=CC=C3)OC(F)(F)FIsomeric SMILES
SMILES: C[C@@H]1CN(CCN1C(=O)OC2=CN=CC(=C2)C(=O)N)CC3=CC(=CC=C3)OC(F)(F)FSynonyms(20)
Irafamdastat2244136-58-9BMS-986368Irafamdastat (USAN)CC-97489IRAFAMDASTAT [USAN]5-carbamoylpyridin-3-yl (R)-2-methyl-4-(3-(trifluoromethoxy)benzyl)piperazine-1-carboxylate(5-carbamoyl-3-pyridinyl) (2R)-2-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylateirafamdastat [INN]orb3136194X3Q33L6UL2CHEMBL5917190SCHEMBL21164451GTPL14565YQF2868
Data from PubChem (NCBI)
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