3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H17N7O — CID 137254526

IUPAC3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc3ccc(-c4ncco4)cc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C19H17N7O/c1-10(2)26-18-15(17(20)22-9-23-18)16(25-26)14-7-11-3-4-12(8-13(11)24-14)19-21-5-6-27-19/h3-10,24H,1-2H3,(H2,20,22,23)
InChIKeyHOZLFOUMPFCLFK-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.79
Rot. Bonds3

About 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 137254526) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID137254526
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc3ccc(-c4ncco4)cc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C19H17N7O/c1-10(2)26-18-15(17(20)22-9-23-18)16(25-26)14-7-11-3-4-12(8-13(11)24-14)19-21-5-6-27-19/h3-10,24H,1-2H3,(H2,20,22,23)
InChIKeyHOZLFOUMPFCLFK-UHFFFAOYSA-N
XLogP3.79
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 137254526) is 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc3ccc(-c4ncco4)cc3[nH]2)c2c(N)ncnc21.
What is the InChIKey of 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HOZLFOUMPFCLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-10(2)26-18-15(17(20)22-9-23-18)16(25-26)14-7-11-3-4-12(8-13(11)24-14)19-21-5-6-27-19/h3-10,24H,1-2H3,(H2,20,22,23).
What are the key properties of 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 359.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,3-oxazol-2-yl)-1H-indol-2-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 137254526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).