Nivegacetor
(7R)-7-(3,5-difluorophenoxy)-N-[(1S,5R)-3-(6-methoxypyridazin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amine
Molecular Identity
Nivegacetor
(7R)-7-(3,5-difluorophenoxy)-N-[(1S,5R)-3-(6-methoxypyridazin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amine
PubChem CID: 153606610
2D Structure
Properties
C23H25F2N7O2
Molecular Formula
469.50
Molecular Weight
g/mol
469.2038
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
90.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
686
Complexity
SMILES
Canonical SMILES
SMILES: COC1=NN=CC(=C1)N2CC3CCC(C2)C3NC4=NN5CCC(C5=N4)OC6=CC(=CC(=C6)F)FIsomeric SMILES
SMILES: COC1=NN=CC(=C1)N2C[C@H]3CC[C@@H](C2)C3NC4=NN5CC[C@H](C5=N4)OC6=CC(=CC(=C6)F)FSynonyms(20)
nivegacetor2443487-67-8nivegacetor [INN]Nivegacetor (USAN/INN)NIVEGACETOR [USAN]SF4J7MVJ56orb2695356SCHEMBL22111481SCHEMBL30709730GTPL13509US12195470, Example 1BDBM712703(R)-7-(3,5-difluorophenoxy)-N-((1R,5S,8s)-3-(6-methoxypyridazin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amine and (S)-7-(3,5-difluorophenoxy)-N-((1R,5S,8s)-3-(6-methoxypyridazin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amineRG6289RG-6289
Data from PubChem (NCBI)
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