6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C22H25FN6O4 — CID 156861875

IUPAC6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCc1nc(C)c2c(c1F)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C22H25FN6O4/c1-11-15-5-13(6-16(15)19(23)12(2)26-11)7-24-4-3-14-9-29(22(31)33-14)17-8-25-21-20(27-17)28-18(30)10-32-21/h8,13-14,24H,3-7,9-10H2,1-2H3,(H,27,28,30)
InChIKeyUUUWZYMJZMOZHT-UHFFFAOYSA-N
MW456.48 g/mol
LogP1.68
Rot. Bonds6

About 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 156861875) has the molecular formula C22H25FN6O4 and a molecular weight of 456.48 g/mol. Its IUPAC name is 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID156861875
Molecular FormulaC22H25FN6O4
Molecular Weight456.48 g/mol
Exact Mass456.19
IUPAC Name6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCc1nc(C)c2c(c1F)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2
InChIInChI=1S/C22H25FN6O4/c1-11-15-5-13(6-16(15)19(23)12(2)26-11)7-24-4-3-14-9-29(22(31)33-14)17-8-25-21-20(27-17)28-18(30)10-32-21/h8,13-14,24H,3-7,9-10H2,1-2H3,(H,27,28,30)
InChIKeyUUUWZYMJZMOZHT-UHFFFAOYSA-N
XLogP1.68
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 156861875) is 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is Cc1nc(C)c2c(c1F)CC(CNCCC1CN(c3cnc4c(n3)NC(=O)CO4)C(=O)O1)C2.
What is the InChIKey of 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is UUUWZYMJZMOZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O4/c1-11-15-5-13(6-16(15)19(23)12(2)26-11)7-24-4-3-14-9-29(22(31)33-14)17-8-25-21-20(27-17)28-18(30)10-32-21/h8,13-14,24H,3-7,9-10H2,1-2H3,(H,27,28,30).
What are the key properties of 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 456.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[(4-fluoro-1,3-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 156861875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).