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

C29H32F2N8O5 — CID 171615205

About 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

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 (PubChem CID 171615205) has the molecular formula C29H32F2N8O5 and a molecular weight of 610.62 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171615205
• Molecular Formula: C29H32F2N8O5
• Molecular Weight: 610.62 g/mol
• Exact Mass: 610.25
• IUPAC Name: 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
• SMILES: Cn1c([C@@H]2C[C@@H](O)CN2)nc2c(F)c3c(c(F)c21)CC(CN1CCC2(CC1)CN(c1cnc4c(n1)NC(=O)CO4)C(=O)O2)C3
• InChI: InChI=1S/C29H32F2N8O5/c1-37-24-22(31)17-7-14(6-16(17)21(30)23(24)36-26(37)18-8-15(40)9-32-18)11-38-4-2-29(3-5-38)13-39(28(42)44-29)19-10-33-27-25(34-19)35-20(41)12-43-27/h10,14-15,18,32,40H,2-9,11-13H2,1H3,(H,34,35,41)/t14?,15-,18+/m1/s1
• InChIKey: JQCOUHYRHMFKTN-MLMRRJNNSA-N
• XLogP: 1.57
• TPSA: 146.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.62
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cn1c([C@@H]2C[C@@H](O)CN2)nc2c(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-[[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?

The InChIKey is JQCOUHYRHMFKTN-MLMRRJNNSA-N. The full InChI is InChI=1S/C29H32F2N8O5/c1-37-24-22(31)17-7-14(6-16(17)21(30)23(24)36-26(37)18-8-15(40)9-32-18)11-38-4-2-29(3-5-38)13-39(28(42)44-29)19-10-33-27-25(34-19)35-20(41)12-43-27/h10,14-15,18,32,40H,2-9,11-13H2,1H3,(H,34,35,41)/t14?,15-,18+/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 610.62 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171615205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).