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

C27H30F2N8O5 — CID 167514745

About 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

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 (PubChem CID 167514745) has the molecular formula C27H30F2N8O5 and a molecular weight of 584.58 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167514745
• Molecular Formula: C27H30F2N8O5
• Molecular Weight: 584.58 g/mol
• Exact Mass: 584.23
• IUPAC Name: 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
• SMILES: N[C@H](CO)Cc1nc2c(F)c3c(c(F)c2[nH]1)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3
• InChI: InChI=1S/C27H30F2N8O5/c28-20-15-5-13(6-16(15)21(29)23-22(20)32-17(33-23)7-14(30)10-38)9-36-3-1-27(2-4-36)12-37(26(40)42-27)18-8-31-25-24(34-18)35-19(39)11-41-25/h8,13-14,38H,1-7,9-12,30H2,(H,32,33)(H,34,35,39)/t14-/m0/s1
• InChIKey: YFPFRZVVGWCYBO-AWEZNQCLSA-N
• XLogP: 1.03
• TPSA: 171.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.58
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N[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-[[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?

The InChIKey is YFPFRZVVGWCYBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C27H30F2N8O5/c28-20-15-5-13(6-16(15)21(29)23-22(20)32-17(33-23)7-14(30)10-38)9-36-3-1-27(2-4-36)12-37(26(40)42-27)18-8-31-25-24(34-18)35-19(39)11-41-25/h8,13-14,38H,1-7,9-12,30H2,(H,32,33)(H,34,35,39)/t14-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 584.58 g/mol, XLogP of 1.03, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).