6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C28H32F2N8O5 — CID 171615198

IUPAC6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCN[C@H](CO)Cc1nc2c(F)c3c(c(F)c2[nH]1)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3
InChIInChI=1S/C28H32F2N8O5/c1-31-15(11-39)8-18-33-23-21(29)16-6-14(7-17(16)22(30)24(23)34-18)10-37-4-2-28(3-5-37)13-38(27(41)43-28)19-9-32-26-25(35-19)36-20(40)12-42-26/h9,14-15,31,39H,2-8,10-13H2,1H3,(H,33,34)(H,35,36,40)/t15-/m0/s1
InChIKeyAIHREYJGCGGVPD-HNNXBMFYSA-N
MW598.61 g/mol
LogP1.29
Rot. Bonds7

About 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 171615198) has the molecular formula C28H32F2N8O5 and a molecular weight of 598.61 g/mol. Its IUPAC name is 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID171615198
Molecular FormulaC28H32F2N8O5
Molecular Weight598.61 g/mol
Exact Mass598.25
IUPAC Name6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCN[C@H](CO)Cc1nc2c(F)c3c(c(F)c2[nH]1)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3
InChIInChI=1S/C28H32F2N8O5/c1-31-15(11-39)8-18-33-23-21(29)16-6-14(7-17(16)22(30)24(23)34-18)10-37-4-2-28(3-5-37)13-38(27(41)43-28)19-9-32-26-25(35-19)36-20(40)12-42-26/h9,14-15,31,39H,2-8,10-13H2,1H3,(H,33,34)(H,35,36,40)/t15-/m0/s1
InChIKeyAIHREYJGCGGVPD-HNNXBMFYSA-N
XLogP1.29
TPSA157.83 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.61
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[8-[[2-[(2S)-2-amino-3-hydroxypropyl]-4,8-difluoro-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167514745
6-[8-[[4,8-difluoro-2-[(1S)-2-hydroxy-1-(methylamino)ethyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 171615183
6-[8-[(2-amino-4,8-difluoro-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167514792
6-[8-[[4,8-difluoro-2-[(2S,4R)-4-(methylamino)pyrrolidin-2-yl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167514899
6-[8-[[(6R)-8-fluoro-2-(methylaminomethyl)-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167514697
6-[8-[[2-(azetidin-3-yl)-4,8-difluoro-6,7-dihydro-5H-cyclopenta[f]benzotriazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167515058
6-[8-[[1-[(2S)-2-aminopropyl]-4,8-difluoro-6,7-dihydro-5H-cyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167514824
6-[8-[[4,8-difluoro-2-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 171615205
6-[8-[[1-(azetidin-3-yl)-4,8-difluoro-6,7-dihydro-5H-cyclopenta[f]benzotriazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 167514763
N-[2-[4,8-difluoro-6-[[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]-6,7-dihydro-5H-cyclopenta[f]benzotriazol-1-yl]ethyl]-N-methylacetamide
CID 167514802
6-[8-[[1,3-bis(2-aminoethyl)-4,8-difluoro-2-oxo-6,7-dihydro-5H-cyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one;3,3,3-trifluoroprop-1-en-2-ol
CID 167514687
(2R)-N-[2-[4,8-difluoro-6-[[2-oxo-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]-6,7-dihydro-5H-cyclopenta[f]benzotriazol-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 171615196

Frequently Asked Questions

What is the IUPAC name of 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 171615198) is 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is CN[C@H](CO)Cc1nc2c(F)c3c(c(F)c2[nH]1)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3.
What is the InChIKey of 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is AIHREYJGCGGVPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C28H32F2N8O5/c1-31-15(11-39)8-18-33-23-21(29)16-6-14(7-17(16)22(30)24(23)34-18)10-37-4-2-28(3-5-37)13-38(27(41)43-28)19-9-32-26-25(35-19)36-20(40)12-42-26/h9,14-15,31,39H,2-8,10-13H2,1H3,(H,33,34)(H,35,36,40)/t15-/m0/s1.
What are the key properties of 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 598.61 g/mol, XLogP of 1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[[4,8-difluoro-2-[(2S)-3-hydroxy-2-(methylamino)propyl]-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-6-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 171615198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).