Sisunatovir
1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
Molecular Identity
Sisunatovir
1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID: 132016492
2D Structure
Properties
C23H22F4N4O
Molecular Formula
446.40
Molecular Weight
g/mol
446.1730
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
64.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
715
Complexity
SMILES
Canonical SMILES
SMILES: C1CC12C3=C(C=C(C=C3)F)N(C2=O)CC4=NC5=C(N4CCCC(F)(F)F)C=CC(=C5)CNIsomeric SMILES
SMILES: C1CC12C3=C(C=C(C=C3)F)N(C2=O)CC4=NC5=C(N4CCCC(F)(F)F)C=CC(=C5)CNSynonyms(20)
Sisunatovir1903763-82-5RV521RV-521KE63TTO7WKRV 521PF-07923568Spiro(cyclopropane-1,3'-(3H)indol)-2'(1'H)-one, 1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl)methyl)-6'-fluoro-RefChem:1832461'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-1,3-benzodiazol-2-yl)methyl)-6'-fluoro-1',2'-dihydrospiro(cyclopropane-1,3'-indol)-2'-oneSisunatovir [USAN]UNII-KE63TTO7WKWHO 112531'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzo[d]imidazol-2-yl)methyl)-6'-fluorospiro[cyclopropane-1,3'-indolin]-2'-one1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
Data from PubChem (NCBI)
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