Nelutroctiv
(1R,3R,5R)-N-[(R)-cyclopropyl-[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-2-(5-methylsulfonylpyridine-3-carbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
Molecular Identity
Nelutroctiv
(1R,3R,5R)-N-[(R)-cyclopropyl-[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-2-(5-methylsulfonylpyridine-3-carbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID: 137543908
2D Structure
Properties
C24H22F5N3O4S
Molecular Formula
543.50
Molecular Weight
g/mol
543.1251
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)C1=CN=CC(=C1)C(=O)N2C3CC3CC2C(=O)NC(C4CC4)C5=CC(=C(C=C5F)C(F)(F)F)FIsomeric SMILES
SMILES: CS(=O)(=O)C1=CN=CC(=C1)C(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C(=O)N[C@H](C4CC4)C5=CC(=C(C=C5F)C(F)(F)F)FSynonyms(20)
Nelutroctiv2299177-09-4Nelutroctiv [INN]9PN6C05CTDUNII-9PN6C05CTDAMG594AMG-594CK-136CK-3828136(1R,3R,5R)-N-[(R)-cyclopropyl-[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-2-(5-methylsulfonylpyridine-3-carbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide(1R,3R,5R)-N-((R)-Cyclopropyl(2,5-difluoro-4- (trifluoromethyl)phenyl)methyl)-2-(5- (methanesulfonyl)pyridine-3-carbonyl)-2- azabicyclo(3.1.0)hexane-3-carboxamide2-Azabicyclo(3.1.0)hexane-3-carboxamide, N-((R)-cyclopropyl(2,5-difluoro-4-(trifluoromethyl)phenyl)methyl)-2-((5-(methylsulfonyl)-3-pyridinyl)carbonyl)-, (1R,3R,5R)-(1R,3R,5R)-N-{(R)-cyclopropyl[2,5-difluoro-4- (trifluoromethyl)phenyl]methyl}-2-[5- (methanesulfonyl)pyridine-3-carbonyl]-2- azabicyclo[3.1.0]hexane-3-carboxamide2-Azabicyclo[3.1.0]hexane-3-carboxamide, N-[(R)-cyclopropyl[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-2-[[5-(methylsulfonyl)-3-pyridinyl]carbonyl]-, (1R,3R,5R)-Nelutroctiv (USAN/INN)
Data from PubChem (NCBI)
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