2222137-86-0
2-[(2R,5S)-5-(4-methyl-12-oxa-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,10-pentaen-3-yl)oxan-2-yl]acetonitrile
Molecular Identity
2222137-86-0
2-[(2R,5S)-5-(4-methyl-12-oxa-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,10-pentaen-3-yl)oxan-2-yl]acetonitrile
PubChem CID: 139413170
2D Structure
Properties
C16H16N4O2
Molecular Formula
296.32
Molecular Weight
g/mol
296.1273
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
76.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
464
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
2222137-86-09LF2TX89HZSCHEMBL21271153SCHEMBL29510661BHV-8000EX-A8673(2R,5S)-Tetrahydro-5-(2-methyl-1H-furo[3,2-b]imidazo[4,5-d]pyridin-1-yl)-2H-pyran-2-acetonitrile2-[(2R,5S)-5-(4-methyl-12-oxa-3,5,8-triazatricyclo[7.3.0.02,6SUP>]dodeca-1,4,6,8,10-pentaen-3-yl)oxan-2-yl]acetonitrile2H-Pyran-2-acetonitrile, tetrahydro-5-(2-methyl-1H-furo[3,2-b]imidazo[4,5-d]pyridin-1-yl)-, (2R,5S)-
Data from PubChem (NCBI)
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