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

C17H20N6O — CID 126591922

IUPAC1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)nn2C1CCCCC1
InChIInChI=1S/C17H20N6O/c18-16-14-15(12-8-13(24-22-12)10-6-7-10)21-23(17(14)20-9-19-16)11-4-2-1-3-5-11/h8-11H,1-7H2,(H2,18,19,20)
InChIKeyURHCJSWLNCXUMX-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.45
Rot. Bonds3

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

1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126591922) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126591922
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)nn2C1CCCCC1
InChIInChI=1S/C17H20N6O/c18-16-14-15(12-8-13(24-22-12)10-6-7-10)21-23(17(14)20-9-19-16)11-4-2-1-3-5-11/h8-11H,1-7H2,(H2,18,19,20)
InChIKeyURHCJSWLNCXUMX-UHFFFAOYSA-N
XLogP3.45
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 126591922) is 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc(C3CC3)on1)nn2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is URHCJSWLNCXUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c18-16-14-15(12-8-13(24-22-12)10-6-7-10)21-23(17(14)20-9-19-16)11-4-2-1-3-5-11/h8-11H,1-7H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126591922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).