5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C13H11N7O2 — CID 139382191

IUPAC5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2cnoc2)n1
InChIInChI=1S/C13H11N7O2/c1-7-9(11(14)12-13(16-7)19-22-18-12)5-20-3-2-10(17-20)8-4-15-21-6-8/h2-4,6H,5,14H2,1H3
InChIKeySSJVZAUSFTZJJQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.41
Rot. Bonds3

About 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139382191) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139382191
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2cnoc2)n1
InChIInChI=1S/C13H11N7O2/c1-7-9(11(14)12-13(16-7)19-22-18-12)5-20-3-2-10(17-20)8-4-15-21-6-8/h2-4,6H,5,14H2,1H3
InChIKeySSJVZAUSFTZJJQ-UHFFFAOYSA-N
XLogP1.41
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139382191) is 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cn1ccc(-c2cnoc2)n1.
What is the InChIKey of 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is SSJVZAUSFTZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2/c1-7-9(11(14)12-13(16-7)19-22-18-12)5-20-3-2-10(17-20)8-4-15-21-6-8/h2-4,6H,5,14H2,1H3.
What are the key properties of 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 297.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[3-(1,2-oxazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139382191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).