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

C21H17FN6O3 — CID 67502829

IUPAC6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
SMILESCOc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C21H17FN6O3/c1-11-6-18(31-26-11)13-7-16(22)20-25-24-19(28(20)10-13)12(2)27-5-4-17-15(21(27)29)8-14(30-3)9-23-17/h4-10,12H,1-3H3
InChIKeyGFVGQIFEENPJSC-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.16
Rot. Bonds4

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

6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one (PubChem CID 67502829) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
PubChem CID67502829
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
SMILESCOc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C21H17FN6O3/c1-11-6-18(31-26-11)13-7-16(22)20-25-24-19(28(20)10-13)12(2)27-5-4-17-15(21(27)29)8-14(30-3)9-23-17/h4-10,12H,1-3H3
InChIKeyGFVGQIFEENPJSC-UHFFFAOYSA-N
XLogP3.16
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one?
The IUPAC name of 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one (CID 67502829) is 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one is COc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1.
What is the InChIKey of 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one?
The InChIKey is GFVGQIFEENPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c1-11-6-18(31-26-11)13-7-16(22)20-25-24-19(28(20)10-13)12(2)27-5-4-17-15(21(27)29)8-14(30-3)9-23-17/h4-10,12H,1-3H3.
What are the key properties of 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one?
6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one has a molecular weight of 420.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one is sourced from PubChem (CID 67502829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).