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

C16H20N6O — CID 126592010

IUPAC3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CCCC3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H20N6O/c1-9(2)22-16-13(15(17)18-8-19-16)14(20-22)11-7-12(23-21-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeySELSULZVJPUFGN-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.30
Rot. Bonds3

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

3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592010) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592010
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CCCC3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H20N6O/c1-9(2)22-16-13(15(17)18-8-19-16)14(20-22)11-7-12(23-21-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeySELSULZVJPUFGN-UHFFFAOYSA-N
XLogP3.30
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126592010) is 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc(C3CCCC3)on2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SELSULZVJPUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-9(2)22-16-13(15(17)18-8-19-16)14(20-22)11-7-12(23-21-11)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 312.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).