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

C22H23FN6O4 — CID 156861841

IUPAC6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCc1ncc(F)c2c1CC(N(C)CCCc1cn(-c3cnc4c(n3)NC(=O)CO4)c(=O)o1)C2
InChIInChI=1S/C22H23FN6O4/c1-12-15-6-13(7-16(15)17(23)8-24-12)28(2)5-3-4-14-10-29(22(31)33-14)18-9-25-21-20(26-18)27-19(30)11-32-21/h8-10,13H,3-7,11H2,1-2H3,(H,26,27,30)
InChIKeyZUFQANFEWGMMED-UHFFFAOYSA-N
MW454.46 g/mol
LogP1.43
Rot. Bonds6

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

6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 156861841) has the molecular formula C22H23FN6O4 and a molecular weight of 454.46 g/mol. Its IUPAC name is 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID156861841
Molecular FormulaC22H23FN6O4
Molecular Weight454.46 g/mol
Exact Mass454.18
IUPAC Name6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCc1ncc(F)c2c1CC(N(C)CCCc1cn(-c3cnc4c(n3)NC(=O)CO4)c(=O)o1)C2
InChIInChI=1S/C22H23FN6O4/c1-12-15-6-13(7-16(15)17(23)8-24-12)28(2)5-3-4-14-10-29(22(31)33-14)18-9-25-21-20(26-18)27-19(30)11-32-21/h8-10,13H,3-7,11H2,1-2H3,(H,26,27,30)
InChIKeyZUFQANFEWGMMED-UHFFFAOYSA-N
XLogP1.43
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-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-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 156861841) is 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is Cc1ncc(F)c2c1CC(N(C)CCCc1cn(-c3cnc4c(n3)NC(=O)CO4)c(=O)o1)C2.
What is the InChIKey of 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is ZUFQANFEWGMMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O4/c1-12-15-6-13(7-16(15)17(23)8-24-12)28(2)5-3-4-14-10-29(22(31)33-14)18-9-25-21-20(26-18)27-19(30)11-32-21/h8-10,13H,3-7,11H2,1-2H3,(H,26,27,30).
What are the key properties of 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 454.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)-methylamino]propyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 156861841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).