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

C24H23FN6O4 — CID 67503544

IUPAC6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one
SMILESCOCCOCc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C24H23FN6O4/c1-14-8-21(35-29-14)17-10-19(25)23-28-27-22(31(23)12-17)15(2)30-5-4-20-18(24(30)32)9-16(11-26-20)13-34-7-6-33-3/h4-5,8-12,15H,6-7,13H2,1-3H3/t15-/m1/s1
InChIKeyJEGYYOHAJCYNBA-OAHLLOKOSA-N
MW478.48 g/mol
LogP3.31
Rot. Bonds8

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

6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one (PubChem CID 67503544) has the molecular formula C24H23FN6O4 and a molecular weight of 478.48 g/mol. Its IUPAC name is 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one
PubChem CID67503544
Molecular FormulaC24H23FN6O4
Molecular Weight478.48 g/mol
Exact Mass478.18
IUPAC Name6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one
SMILESCOCCOCc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C24H23FN6O4/c1-14-8-21(35-29-14)17-10-19(25)23-28-27-22(31(23)12-17)15(2)30-5-4-20-18(24(30)32)9-16(11-26-20)13-34-7-6-33-3/h4-5,8-12,15H,6-7,13H2,1-3H3/t15-/m1/s1
InChIKeyJEGYYOHAJCYNBA-OAHLLOKOSA-N
XLogP3.31
TPSA109.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one (CID 67503544) is 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one is COCCOCc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1.
What is the InChIKey of 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one?
The InChIKey is JEGYYOHAJCYNBA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23FN6O4/c1-14-8-21(35-29-14)17-10-19(25)23-28-27-22(31(23)12-17)15(2)30-5-4-20-18(24(30)32)9-16(11-26-20)13-34-7-6-33-3/h4-5,8-12,15H,6-7,13H2,1-3H3/t15-/m1/s1.
What are the key properties of 6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one?
6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one has a molecular weight of 478.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 10 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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 67503544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).