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

C16H16N6 — CID 24905190

IUPAC3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cccc3[nH]ccc23)c2c(N)ncnc21
InChIInChI=1S/C16H16N6/c1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-4-3-5-12-10(11)6-7-18-12/h3-9,18H,1-2H3,(H2,17,19,20)
InChIKeyJSXBAKOSLFZFQZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.14
Rot. Bonds2

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

3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905190) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905190
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cccc3[nH]ccc23)c2c(N)ncnc21
InChIInChI=1S/C16H16N6/c1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-4-3-5-12-10(11)6-7-18-12/h3-9,18H,1-2H3,(H2,17,19,20)
InChIKeyJSXBAKOSLFZFQZ-UHFFFAOYSA-N
XLogP3.14
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905190) is 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cccc3[nH]ccc23)c2c(N)ncnc21.
What is the InChIKey of 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JSXBAKOSLFZFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-4-3-5-12-10(11)6-7-18-12/h3-9,18H,1-2H3,(H2,17,19,20).
What are the key properties of 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 292.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).