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

C16H15N7O — CID 126592040

IUPAC1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(-c3ccccn3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H15N7O/c1-9(2)23-16-13(15(17)19-8-20-16)14(21-23)11-7-12(24-22-11)10-5-3-4-6-18-10/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyOGYKRHXGMVISFY-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.71
Rot. Bonds3

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

1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592040) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592040
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(-c3ccccn3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H15N7O/c1-9(2)23-16-13(15(17)19-8-20-16)14(21-23)11-7-12(24-22-11)10-5-3-4-6-18-10/h3-9H,1-2H3,(H2,17,19,20)
InChIKeyOGYKRHXGMVISFY-UHFFFAOYSA-N
XLogP2.71
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.71
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-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 126592040) is 1-propan-2-yl-3-(5-pyridin-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-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc(-c3ccccn3)on2)c2c(N)ncnc21.
What is the InChIKey of 1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OGYKRHXGMVISFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-9(2)23-16-13(15(17)19-8-20-16)14(21-23)11-7-12(24-22-11)10-5-3-4-6-18-10/h3-9H,1-2H3,(H2,17,19,20).
What are the key properties of 1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 2.71, 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-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).