6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid

C19H17N5O5 — CID 139489435

IUPAC6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid
SMILESCOCc1cc(-c2nnc3ccc(OCCc4ccc(C(=O)O)cn4)cn23)no1
InChIInChI=1S/C19H17N5O5/c1-27-11-15-8-16(23-29-15)18-22-21-17-5-4-14(10-24(17)18)28-7-6-13-3-2-12(9-20-13)19(25)26/h2-5,8-10H,6-7,11H2,1H3,(H,25,26)
InChIKeyYAXNXQOMOVXAFQ-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.25
Rot. Bonds8

About 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid

6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid (PubChem CID 139489435) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid
PubChem CID139489435
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid
SMILESCOCc1cc(-c2nnc3ccc(OCCc4ccc(C(=O)O)cn4)cn23)no1
InChIInChI=1S/C19H17N5O5/c1-27-11-15-8-16(23-29-15)18-22-21-17-5-4-14(10-24(17)18)28-7-6-13-3-2-12(9-20-13)19(25)26/h2-5,8-10H,6-7,11H2,1H3,(H,25,26)
InChIKeyYAXNXQOMOVXAFQ-UHFFFAOYSA-N
XLogP2.25
TPSA124.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid (CID 139489435) is 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid is COCc1cc(-c2nnc3ccc(OCCc4ccc(C(=O)O)cn4)cn23)no1.
What is the InChIKey of 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid?
The InChIKey is YAXNXQOMOVXAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-27-11-15-8-16(23-29-15)18-22-21-17-5-4-14(10-24(17)18)28-7-6-13-3-2-12(9-20-13)19(25)26/h2-5,8-10H,6-7,11H2,1H3,(H,25,26).
What are the key properties of 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid?
6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid has a molecular weight of 395.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 139489435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).