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

C22H19FN6O3 — CID 67962305

IUPAC3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCCOc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C22H19FN6O3/c1-4-31-15-9-16-18(24-10-15)5-6-28(22(16)30)13(3)20-25-26-21-17(23)8-14(11-29(20)21)19-7-12(2)27-32-19/h5-11,13H,4H2,1-3H3
InChIKeyZRPCSKMMFLPEGO-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.55
Rot. Bonds5

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

3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (PubChem CID 67962305) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
PubChem CID67962305
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Name3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCCOc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C22H19FN6O3/c1-4-31-15-9-16-18(24-10-15)5-6-28(22(16)30)13(3)20-25-26-21-17(23)8-14(11-29(20)21)19-7-12(2)27-32-19/h5-11,13H,4H2,1-3H3
InChIKeyZRPCSKMMFLPEGO-UHFFFAOYSA-N
XLogP3.55
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The IUPAC name of 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one (CID 67962305) is 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is CCOc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1.
What is the InChIKey of 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
The InChIKey is ZRPCSKMMFLPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3/c1-4-31-15-9-16-18(24-10-15)5-6-28(22(16)30)13(3)20-25-26-21-17(23)8-14(11-29(20)21)19-7-12(2)27-32-19/h5-11,13H,4H2,1-3H3.
What are the key properties of 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one?
3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one has a molecular weight of 434.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 67962305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).