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

C23H21FN6O4 — CID 58015490

IUPAC6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
SMILESCOCCOc1cnc2ccn([C@@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C23H21FN6O4/c1-13-8-20(34-28-13)15-9-18(24)22-27-26-21(30(22)12-15)14(2)29-5-4-19-17(23(29)31)10-16(11-25-19)33-7-6-32-3/h4-5,8-12,14H,6-7H2,1-3H3/t14-/m0/s1
InChIKeyIASNQBJQLURUKC-AWEZNQCLSA-N
MW464.46 g/mol
LogP3.18
Rot. Bonds7

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

6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one (PubChem CID 58015490) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
PubChem CID58015490
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
SMILESCOCCOc1cnc2ccn([C@@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C23H21FN6O4/c1-13-8-20(34-28-13)15-9-18(24)22-27-26-21(30(22)12-15)14(2)29-5-4-19-17(23(29)31)10-16(11-25-19)33-7-6-32-3/h4-5,8-12,14H,6-7H2,1-3H3/t14-/m0/s1
InChIKeyIASNQBJQLURUKC-AWEZNQCLSA-N
XLogP3.18
TPSA109.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one (CID 58015490) is 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one is COCCOc1cnc2ccn([C@@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1.
What is the InChIKey of 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?
The InChIKey is IASNQBJQLURUKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-13-8-20(34-28-13)15-9-18(24)22-27-26-21(30(22)12-15)14(2)29-5-4-19-17(23(29)31)10-16(11-25-19)33-7-6-32-3/h4-5,8-12,14H,6-7H2,1-3H3/t14-/m0/s1.
What are the key properties of 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one?
6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one has a molecular weight of 464.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one is sourced from PubChem (CID 58015490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).