3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C18H20N8O — CID 155365359

IUPAC3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1
InChIInChI=1S/C18H20N8O/c1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13/h7-10,13H,3-6H2,1-2H3,(H,19,22,23)
InChIKeyHVSIYLSDBXKAGE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.58
Rot. Bonds3

About 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine

3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 155365359) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID155365359
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1
InChIInChI=1S/C18H20N8O/c1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13/h7-10,13H,3-6H2,1-2H3,(H,19,22,23)
InChIKeyHVSIYLSDBXKAGE-UHFFFAOYSA-N
XLogP2.58
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 155365359) is 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.
What is the InChIKey of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is HVSIYLSDBXKAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13/h7-10,13H,3-6H2,1-2H3,(H,19,22,23).
What are the key properties of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 364.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 155365359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).