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

C17H15FN6O — CID 126592018

IUPAC3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(-c3ccc(F)cc3)on2)c2c(N)ncnc21
InChIInChI=1S/C17H15FN6O/c1-9(2)24-17-14(16(19)20-8-21-17)15(22-24)12-7-13(25-23-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H2,19,20,21)
InChIKeyPYQBLKGHLKNKLQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.45
Rot. Bonds3

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

3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592018) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592018
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(-c3ccc(F)cc3)on2)c2c(N)ncnc21
InChIInChI=1S/C17H15FN6O/c1-9(2)24-17-14(16(19)20-8-21-17)15(22-24)12-7-13(25-23-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H2,19,20,21)
InChIKeyPYQBLKGHLKNKLQ-UHFFFAOYSA-N
XLogP3.45
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126592018) is 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc(-c3ccc(F)cc3)on2)c2c(N)ncnc21.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PYQBLKGHLKNKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-9(2)24-17-14(16(19)20-8-21-17)15(22-24)12-7-13(25-23-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H2,19,20,21).
What are the key properties of 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.35 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 3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).