1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H14N6OS — CID 126591908

IUPAC1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(-c3cccs3)on2)c2c(N)ncnc21
InChIInChI=1S/C15H14N6OS/c1-8(2)21-15-12(14(16)17-7-18-15)13(19-21)9-6-10(22-20-9)11-4-3-5-23-11/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyWLVJKRQCGMBPNU-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.37
Rot. Bonds3

About 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126591908) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126591908
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(-c3cccs3)on2)c2c(N)ncnc21
InChIInChI=1S/C15H14N6OS/c1-8(2)21-15-12(14(16)17-7-18-15)13(19-21)9-6-10(22-20-9)11-4-3-5-23-11/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyWLVJKRQCGMBPNU-UHFFFAOYSA-N
XLogP3.37
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 126591908) is 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc(-c3cccs3)on2)c2c(N)ncnc21.
What is the InChIKey of 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WLVJKRQCGMBPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-8(2)21-15-12(14(16)17-7-18-15)13(19-21)9-6-10(22-20-9)11-4-3-5-23-11/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126591908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).