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

C27H30F2N8O4 — CID 167514824

IUPAC6-[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
SMILESC[C@H](N)Cn1cnc2c(F)c3c(c(F)c21)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3
InChIInChI=1S/C27H30F2N8O4/c1-14(30)9-36-13-32-22-20(28)16-6-15(7-17(16)21(29)23(22)36)10-35-4-2-27(3-5-35)12-37(26(39)41-27)18-8-31-25-24(33-18)34-19(38)11-40-25/h8,13-15H,2-7,9-12,30H2,1H3,(H,33,34,38)/t14-,15?/m0/s1
InChIKeySDYPQGXEPMEALD-MLCCFXAWSA-N
MW568.59 g/mol
LogP1.99
Rot. Bonds5

About 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

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 (PubChem CID 167514824) has the molecular formula C27H30F2N8O4 and a molecular weight of 568.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID167514824
Molecular FormulaC27H30F2N8O4
Molecular Weight568.59 g/mol
Exact Mass568.24
IUPAC Name6-[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
SMILESC[C@H](N)Cn1cnc2c(F)c3c(c(F)c21)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3
InChIInChI=1S/C27H30F2N8O4/c1-14(30)9-36-13-32-22-20(28)16-6-15(7-17(16)21(29)23(22)36)10-35-4-2-27(3-5-35)12-37(26(39)41-27)18-8-31-25-24(33-18)34-19(38)11-40-25/h8,13-15H,2-7,9-12,30H2,1H3,(H,33,34,38)/t14-,15?/m0/s1
InChIKeySDYPQGXEPMEALD-MLCCFXAWSA-N
XLogP1.99
TPSA140.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.59
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-[[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-(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
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-[[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-[[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
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-[[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
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
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
(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-[[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](N)Cn1cnc2c(F)c3c(c(F)c21)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3.
What is the InChIKey of 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?
The InChIKey is SDYPQGXEPMEALD-MLCCFXAWSA-N. The full InChI is InChI=1S/C27H30F2N8O4/c1-14(30)9-36-13-32-22-20(28)16-6-15(7-17(16)21(29)23(22)36)10-35-4-2-27(3-5-35)12-37(26(39)41-27)18-8-31-25-24(33-18)34-19(38)11-40-25/h8,13-15H,2-7,9-12,30H2,1H3,(H,33,34,38)/t14-,15?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 568.59 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167514824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).