3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide

C16H16N8O3 — CID 91631830

IUPAC3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C16H16N8O3/c1-9-18-15(27-22-9)10-4-5-24-12(6-10)19-20-13(24)7-17-14(25)11-8-23(2)21-16(11)26-3/h4-6,8H,7H2,1-3H3,(H,17,25)
InChIKeyGGDJOFMJAZEIJR-UHFFFAOYSA-N
MW368.36 g/mol
LogP0.76
Rot. Bonds5

About 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 91631830) has the molecular formula C16H16N8O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID91631830
Molecular FormulaC16H16N8O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C16H16N8O3/c1-9-18-15(27-22-9)10-4-5-24-12(6-10)19-20-13(24)7-17-14(25)11-8-23(2)21-16(11)26-3/h4-6,8H,7H2,1-3H3,(H,17,25)
InChIKeyGGDJOFMJAZEIJR-UHFFFAOYSA-N
XLogP0.76
TPSA125.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide
CID 91631834
3-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893208
2-chloro-4-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893183
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 91893207
1,3,5-trimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631843
3-fluoro-4-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91631867
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
CID 91631866
2,4-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 91631828
2-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91893180
2-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817928
1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
CID 91817942
5,7-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 91631844

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide (CID 91631830) is 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12.
What is the InChIKey of 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is GGDJOFMJAZEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O3/c1-9-18-15(27-22-9)10-4-5-24-12(6-10)19-20-13(24)7-17-14(25)11-8-23(2)21-16(11)26-3/h4-6,8H,7H2,1-3H3,(H,17,25).
What are the key properties of 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91631830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).