Vicasinabin
(3S)-1-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol
Molecular Identity
Vicasinabin
(3S)-1-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol
PubChem CID: 86296048
2D Structure
Properties
C15H22N10O
Molecular Formula
358.40
Molecular Weight
g/mol
358.1978
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
501
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=NC2=C(C(=N1)N3CCC(C3)O)N=NN2CC4=NN=NN4CIsomeric SMILES
SMILES: CC(C)(C)C1=NC2=C(C(=N1)N3CC[C@@H](C3)O)N=NN2CC4=NN=NN4CSynonyms(20)
Vicasinabin1433361-02-4Vicasinabin [INN]RG7774QJ8UO6C05MRG-7774(3S)-1-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-olExample 151 [WO2013068306A1](3S)-1-(5-(1,1-Dimethylethyl)-3-((1-methyl-1H-tetrazol-5-yl)methyl)-3H-1,2,3-triazolo(4,5-d)pyrimidin-7-yl)-3-pyrrolidinol(S)-1-(5-tert-Butyl-3-((1-methyl-1H-tetrazol-5-yl)methyl)-3H-(1,2,3)triazolo-(4,5-d)pyrimidin-7-yl)pyrrolidin-3-ol3-Pyrrolidinol, 1-(5-(1,1-dimethylethyl)-3-((1-methyl-1H-tetrazol-5-yl)methyl)-3H-1,2,3-triazolo(4,5-d)pyrimidin-7-yl)-, (3S)-Example 151 (WO2013068306A1)(3S)-1-(5-tert-butyl-3-((1-methyltetrazol-5-yl)methyl)triazolo(4,5-d)pyrimidin-7-yl)pyrrolidin-3-ol3-Pyrrolidinol, 1-[5-(1,1-dimethylethyl)-3-[(1-methyl-1H-tetrazol-5-yl)methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]-, (3S)-RefChem:194202
Data from PubChem (NCBI)
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