1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H17FN6 — CID 137254484

IUPAC1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2cc3cc(F)ccc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C17H17FN6/c1-17(2,3)24-16-13(15(19)20-8-21-16)14(23-24)12-7-9-6-10(18)4-5-11(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21)
InChIKeyAUAQBYFHISZPPM-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.45
Rot. Bonds1

About 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 137254484) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID137254484
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(-c2cc3cc(F)ccc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C17H17FN6/c1-17(2,3)24-16-13(15(19)20-8-21-16)14(23-24)12-7-9-6-10(18)4-5-11(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21)
InChIKeyAUAQBYFHISZPPM-UHFFFAOYSA-N
XLogP3.45
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 137254484) is 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(-c2cc3cc(F)ccc3[nH]2)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AUAQBYFHISZPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c1-17(2,3)24-16-13(15(19)20-8-21-16)14(23-24)12-7-9-6-10(18)4-5-11(9)22-12/h4-8,22H,1-3H3,(H2,19,20,21).
What are the key properties of 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 137254484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).