6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C26H28FN5O3 — CID 134131503

IUPAC6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CC4CCc5c(F)ccc6ccc(=O)n4c56)CC3)nc2N1
InChIInChI=1S/C26H28FN5O3/c27-21-6-1-16-2-8-24(34)32-19(4-5-20(21)25(16)32)14-31-11-9-17(10-12-31)28-13-18-3-7-22-26(29-18)30-23(33)15-35-22/h1-3,6-8,17,19,28H,4-5,9-15H2,(H,29,30,33)
InChIKeyAURRWVHQGAJKAY-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.61
Rot. Bonds5

About 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 134131503) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID134131503
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CC4CCc5c(F)ccc6ccc(=O)n4c56)CC3)nc2N1
InChIInChI=1S/C26H28FN5O3/c27-21-6-1-16-2-8-24(34)32-19(4-5-20(21)25(16)32)14-31-11-9-17(10-12-31)28-13-18-3-7-22-26(29-18)30-23(33)15-35-22/h1-3,6-8,17,19,28H,4-5,9-15H2,(H,29,30,33)
InChIKeyAURRWVHQGAJKAY-UHFFFAOYSA-N
XLogP2.61
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 134131503) is 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC3CCN(CC4CCc5c(F)ccc6ccc(=O)n4c56)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is AURRWVHQGAJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c27-21-6-1-16-2-8-24(34)32-19(4-5-20(21)25(16)32)14-31-11-9-17(10-12-31)28-13-18-3-7-22-26(29-18)30-23(33)15-35-22/h1-3,6-8,17,19,28H,4-5,9-15H2,(H,29,30,33).
What are the key properties of 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 477.54 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 134131503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).