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

C23H22N6O4 — CID 58015489

IUPAC3-(2-methoxyethoxy)-6-[(1R)-1-[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCOCCOc1cnc2ccn([C@H](C)c3nnc4ccc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C23H22N6O4/c1-14-10-20(33-27-14)16-4-5-21-25-26-22(29(21)13-16)15(2)28-7-6-19-18(23(28)30)11-17(12-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m1/s1
InChIKeyLWFDHDVAJJXJRU-OAHLLOKOSA-N
MW446.47 g/mol
LogP3.04
Rot. Bonds7

About 3-(2-methoxyethoxy)-6-[(1R)-1-[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-(2-methoxyethoxy)-6-[(1R)-1-[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 58015489) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-6-[(1R)-1-[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-(2-methoxyethoxy)-6-[(1R)-1-[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 CID58015489
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name3-(2-methoxyethoxy)-6-[(1R)-1-[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
SMILESCOCCOc1cnc2ccn([C@H](C)c3nnc4ccc(-c5cc(C)no5)cn34)c(=O)c2c1
InChIInChI=1S/C23H22N6O4/c1-14-10-20(33-27-14)16-4-5-21-25-26-22(29(21)13-16)15(2)28-7-6-19-18(23(28)30)11-17(12-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m1/s1
InChIKeyLWFDHDVAJJXJRU-OAHLLOKOSA-N
XLogP3.04
TPSA109.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethoxy)-6-[(1R)-1-[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-(2-methoxyethoxy)-6-[(1R)-1-[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-(2-methoxyethoxy)-6-[(1R)-1-[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 58015489) is 3-(2-methoxyethoxy)-6-[(1R)-1-[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-(2-methoxyethoxy)-6-[(1R)-1-[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-(2-methoxyethoxy)-6-[(1R)-1-[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 COCCOc1cnc2ccn([C@H](C)c3nnc4ccc(-c5cc(C)no5)cn34)c(=O)c2c1.
What is the InChIKey of 3-(2-methoxyethoxy)-6-[(1R)-1-[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 LWFDHDVAJJXJRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-14-10-20(33-27-14)16-4-5-21-25-26-22(29(21)13-16)15(2)28-7-6-19-18(23(28)30)11-17(12-24-19)32-9-8-31-3/h4-7,10-13,15H,8-9H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-(2-methoxyethoxy)-6-[(1R)-1-[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-(2-methoxyethoxy)-6-[(1R)-1-[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 446.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-6-[(1R)-1-[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 58015489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).