6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one

C20H16FN6O2+ — CID 117094732

IUPAC6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3n[nH]c([C@@H](C)n4ccc5ncccc5c4=O)[n+]3c2)on1
InChIInChI=1S/C20H15FN6O2/c1-11-8-17(29-25-11)13-9-15(21)19-24-23-18(27(19)10-13)12(2)26-7-5-16-14(20(26)28)4-3-6-22-16/h3-10,12H,1-2H3/p+1/t12-/m1/s1
InChIKeyMUXVJMKIENAXGE-GFCCVEGCSA-O
MW391.39 g/mol
LogP2.57
Rot. Bonds3

About 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one

6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one (PubChem CID 117094732) has the molecular formula C20H16FN6O2+ and a molecular weight of 391.39 g/mol. Its IUPAC name is 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one
PubChem CID117094732
Molecular FormulaC20H16FN6O2+
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3n[nH]c([C@@H](C)n4ccc5ncccc5c4=O)[n+]3c2)on1
InChIInChI=1S/C20H15FN6O2/c1-11-8-17(29-25-11)13-9-15(21)19-24-23-18(27(19)10-13)12(2)26-7-5-16-14(20(26)28)4-3-6-22-16/h3-10,12H,1-2H3/p+1/t12-/m1/s1
InChIKeyMUXVJMKIENAXGE-GFCCVEGCSA-O
XLogP2.57
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one (CID 117094732) is 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one is Cc1cc(-c2cc(F)c3n[nH]c([C@@H](C)n4ccc5ncccc5c4=O)[n+]3c2)on1.
What is the InChIKey of 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one?
The InChIKey is MUXVJMKIENAXGE-GFCCVEGCSA-O. The full InChI is InChI=1S/C20H15FN6O2/c1-11-8-17(29-25-11)13-9-15(21)19-24-23-18(27(19)10-13)12(2)26-7-5-16-14(20(26)28)4-3-6-22-16/h3-10,12H,1-2H3/p+1/t12-/m1/s1.
What are the key properties of 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one?
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one has a molecular weight of 391.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-2H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl]ethyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 117094732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).