6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H24F2N6O3 — CID 90644113

IUPAC6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CN[C@@H]3CCN(CCn4c(=O)ccc5ncc(F)cc54)C[C@@H]3F)nc2N1
InChIInChI=1S/C23H24F2N6O3/c24-14-9-19-18(26-10-14)2-4-22(33)31(19)8-7-30-6-5-17(16(25)12-30)27-11-15-1-3-20-23(28-15)29-21(32)13-34-20/h1-4,9-10,16-17,27H,5-8,11-13H2,(H,28,29,32)/t16-,17+/m0/s1
InChIKeyALQSLGJWIKQNFA-DLBZAZTESA-N
MW470.48 g/mol
LogP1.46
Rot. Bonds6

About 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 90644113) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID90644113
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CN[C@@H]3CCN(CCn4c(=O)ccc5ncc(F)cc54)C[C@@H]3F)nc2N1
InChIInChI=1S/C23H24F2N6O3/c24-14-9-19-18(26-10-14)2-4-22(33)31(19)8-7-30-6-5-17(16(25)12-30)27-11-15-1-3-20-23(28-15)29-21(32)13-34-20/h1-4,9-10,16-17,27H,5-8,11-13H2,(H,28,29,32)/t16-,17+/m0/s1
InChIKeyALQSLGJWIKQNFA-DLBZAZTESA-N
XLogP1.46
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]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-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 90644113) is 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CN[C@@H]3CCN(CCn4c(=O)ccc5ncc(F)cc54)C[C@@H]3F)nc2N1.
What is the InChIKey of 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ALQSLGJWIKQNFA-DLBZAZTESA-N. The full InChI is InChI=1S/C23H24F2N6O3/c24-14-9-19-18(26-10-14)2-4-22(33)31(19)8-7-30-6-5-17(16(25)12-30)27-11-15-1-3-20-23(28-15)29-21(32)13-34-20/h1-4,9-10,16-17,27H,5-8,11-13H2,(H,28,29,32)/t16-,17+/m0/s1.
What are the key properties of 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 470.48 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 90644113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).