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

C17H22N6O — CID 126591909

IUPAC3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CCCCC3)on2)c2c(N)ncnc21
InChIInChI=1S/C17H22N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,18,19,20)
InChIKeyQRRSZJDNULZKHW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.69
Rot. Bonds3

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

3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126591909) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126591909
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CCCCC3)on2)c2c(N)ncnc21
InChIInChI=1S/C17H22N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,18,19,20)
InChIKeyQRRSZJDNULZKHW-UHFFFAOYSA-N
XLogP3.69
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126591909) is 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc(C3CCCCC3)on2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QRRSZJDNULZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,18,19,20).
What are the key properties of 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126591909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).