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

C14H14N8O — CID 139382199

IUPAC5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2cncn2C)n1
InChIInChI=1S/C14H14N8O/c1-8-9(12(15)13-14(17-8)20-23-19-13)6-22-4-3-10(18-22)11-5-16-7-21(11)2/h3-5,7H,6,15H2,1-2H3
InChIKeyNQOUYZAOBPJFTI-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.15
Rot. Bonds3

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

5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139382199) has the molecular formula C14H14N8O and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139382199
Molecular FormulaC14H14N8O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2cncn2C)n1
InChIInChI=1S/C14H14N8O/c1-8-9(12(15)13-14(17-8)20-23-19-13)6-22-4-3-10(18-22)11-5-16-7-21(11)2/h3-5,7H,6,15H2,1-2H3
InChIKeyNQOUYZAOBPJFTI-UHFFFAOYSA-N
XLogP1.15
TPSA113.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.15
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-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139382199) is 5-methyl-6-[[3-(3-methylimidazol-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-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cn1ccc(-c2cncn2C)n1.
What is the InChIKey of 5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is NQOUYZAOBPJFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O/c1-8-9(12(15)13-14(17-8)20-23-19-13)6-22-4-3-10(18-22)11-5-16-7-21(11)2/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[3-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 310.32 g/mol, XLogP of 1.15, 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-(3-methylimidazol-4-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139382199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).