1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H20N8O — CID 56915191

IUPAC1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1noc(CCNc2nc(-c3ccncc3)nc3c2cnn3C)n1
InChIInChI=1S/C18H20N8O/c1-11(2)15-22-14(27-25-15)6-9-20-17-13-10-21-26(3)18(13)24-16(23-17)12-4-7-19-8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,23,24)
InChIKeyABSNQGLBGXKRFJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.59
Rot. Bonds6

About 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56915191) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56915191
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1noc(CCNc2nc(-c3ccncc3)nc3c2cnn3C)n1
InChIInChI=1S/C18H20N8O/c1-11(2)15-22-14(27-25-15)6-9-20-17-13-10-21-26(3)18(13)24-16(23-17)12-4-7-19-8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,23,24)
InChIKeyABSNQGLBGXKRFJ-UHFFFAOYSA-N
XLogP2.59
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56915191) is 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)c1noc(CCNc2nc(-c3ccncc3)nc3c2cnn3C)n1.
What is the InChIKey of 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ABSNQGLBGXKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11(2)15-22-14(27-25-15)6-9-20-17-13-10-21-26(3)18(13)24-16(23-17)12-4-7-19-8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,23,24).
What are the key properties of 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 364.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56915191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).