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

C19H13FN6O2 — CID 129157513

IUPAC6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3nnc(Cn4ccc5ncccc5c4=O)n3c2)on1
InChIInChI=1S/C19H13FN6O2/c1-11-7-16(28-24-11)12-8-14(20)18-23-22-17(26(18)9-12)10-25-6-4-15-13(19(25)27)3-2-5-21-15/h2-9H,10H2,1H3
InChIKeyNMSIGKUJNYHOEH-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.59
Rot. Bonds3

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

6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one (PubChem CID 129157513) has the molecular formula C19H13FN6O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one
PubChem CID129157513
Molecular FormulaC19H13FN6O2
Molecular Weight376.35 g/mol
Exact Mass376.11
IUPAC Name6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3nnc(Cn4ccc5ncccc5c4=O)n3c2)on1
InChIInChI=1S/C19H13FN6O2/c1-11-7-16(28-24-11)12-8-14(20)18-23-22-17(26(18)9-12)10-25-6-4-15-13(19(25)27)3-2-5-21-15/h2-9H,10H2,1H3
InChIKeyNMSIGKUJNYHOEH-UHFFFAOYSA-N
XLogP2.59
TPSA91.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one (CID 129157513) is 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one is Cc1cc(-c2cc(F)c3nnc(Cn4ccc5ncccc5c4=O)n3c2)on1.
What is the InChIKey of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one?
The InChIKey is NMSIGKUJNYHOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O2/c1-11-7-16(28-24-11)12-8-14(20)18-23-22-17(26(18)9-12)10-25-6-4-15-13(19(25)27)3-2-5-21-15/h2-9H,10H2,1H3.
What are the key properties of 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one?
6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one has a molecular weight of 376.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 129157513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).