Emraclidine
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
Molecular Identity
Emraclidine
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
PubChem CID: 140830653
2D Structure
Properties
C20H21F3N4O
Molecular Formula
390.40
Molecular Weight
g/mol
390.1667
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
49.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
580
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NC2=C1CN(C2)C(=O)CC3CN(C3)C4=CC(=NC=C4)C(F)(F)F)CIsomeric SMILES
SMILES: CC1=CC(=NC2=C1CN(C2)C(=O)CC3CN(C3)C4=CC(=NC=C4)C(F)(F)F)CSynonyms(20)
Emraclidine2170722-84-4CVL-231Emraclidine [INN]J241Y80EEO1-(2,4-DIMETHYL-5,7-DIHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL)-2-(1-(2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)AZETIDIN-3-YL)ETHAN-1-ONE1-(2,4-Dimethyl-5,7-dihydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-2-(1-(2-(trifluoromethyl)pyridin-4-yl)azetidin-3-yl)ethan-1-oneEthanone, 1-(5,7-dihydro-2,4-dimethyl-6H-pyrrolo(3,4-b)pyridin-6-yl)-2-(1-(2-(trifluoromethyl)-4-pyridinyl)-3-azetidinyl)-Ethanone, 1-(5,7-dihydro-2,4-dimethyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl]-RefChem:136727UNII-J241Y80EEOPF-06852231CVL2311-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl]ethanone1-(2,4-Dimethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl}ethanone
Data from PubChem (NCBI)
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