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

C27H30F2N8O5 — CID 171615183

About 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

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 (PubChem CID 171615183) has the molecular formula C27H30F2N8O5 and a molecular weight of 584.58 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171615183
• Molecular Formula: C27H30F2N8O5
• Molecular Weight: 584.58 g/mol
• Exact Mass: 584.23
• IUPAC Name: 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
• SMILES: CN[C@H](CO)c1nc2c(F)c3c(c(F)c2[nH]1)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3
• InChI: InChI=1S/C27H30F2N8O5/c1-30-16(10-38)23-34-21-19(28)14-6-13(7-15(14)20(29)22(21)35-23)9-36-4-2-27(3-5-36)12-37(26(40)42-27)17-8-31-25-24(32-17)33-18(39)11-41-25/h8,13,16,30,38H,2-7,9-12H2,1H3,(H,34,35)(H,32,33,39)/t16-/m1/s1
• InChIKey: DBTRMIJJHXGKNH-MRXNPFEDSA-N
• XLogP: 1.42
• TPSA: 157.83 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	1.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN[C@H](CO)c1nc2c(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-[(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?

The InChIKey is DBTRMIJJHXGKNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H30F2N8O5/c1-30-16(10-38)23-34-21-19(28)14-6-13(7-15(14)20(29)22(21)35-23)9-36-4-2-27(3-5-36)12-37(26(40)42-27)17-8-31-25-24(32-17)33-18(39)11-41-25/h8,13,16,30,38H,2-7,9-12H2,1H3,(H,34,35)(H,32,33,39)/t16-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 584.58 g/mol, XLogP of 1.42, 6 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-[(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 is sourced from PubChem (CID 171615183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).