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

C22H16F4N6O3 — CID 58015503

IUPAC6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3nnc(C(C)n4ccc5ncc(OCC(F)(F)F)cc5c4=O)n3c2)on1
InChIInChI=1S/C22H16F4N6O3/c1-11-5-18(35-30-11)13-6-16(23)20-29-28-19(32(20)9-13)12(2)31-4-3-17-15(21(31)33)7-14(8-27-17)34-10-22(24,25)26/h3-9,12H,10H2,1-2H3
InChIKeyKQCOUKVUTHONIC-UHFFFAOYSA-N
MW488.40 g/mol
LogP4.09
Rot. Bonds5

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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one (PubChem CID 58015503) has the molecular formula C22H16F4N6O3 and a molecular weight of 488.40 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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one
PubChem CID58015503
Molecular FormulaC22H16F4N6O3
Molecular Weight488.40 g/mol
Exact Mass488.12
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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one
SMILESCc1cc(-c2cc(F)c3nnc(C(C)n4ccc5ncc(OCC(F)(F)F)cc5c4=O)n3c2)on1
InChIInChI=1S/C22H16F4N6O3/c1-11-5-18(35-30-11)13-6-16(23)20-29-28-19(32(20)9-13)12(2)31-4-3-17-15(21(31)33)7-14(8-27-17)34-10-22(24,25)26/h3-9,12H,10H2,1-2H3
InChIKeyKQCOUKVUTHONIC-UHFFFAOYSA-N
XLogP4.09
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 54.09
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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one (CID 58015503) 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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one is Cc1cc(-c2cc(F)c3nnc(C(C)n4ccc5ncc(OCC(F)(F)F)cc5c4=O)n3c2)on1.
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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one?
The InChIKey is KQCOUKVUTHONIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N6O3/c1-11-5-18(35-30-11)13-6-16(23)20-29-28-19(32(20)9-13)12(2)31-4-3-17-15(21(31)33)7-14(8-27-17)34-10-22(24,25)26/h3-9,12H,10H2,1-2H3.
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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one has a molecular weight of 488.40 g/mol, XLogP of 4.09, 5 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-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-5-one is sourced from PubChem (CID 58015503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).