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

C15H16N8 — CID 24905239

IUPAC3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3c(N)n[nH]c3c2)c2c(N)ncnc21
InChIInChI=1S/C15H16N8/c1-7(2)23-15-11(14(17)18-6-19-15)12(22-23)8-3-4-9-10(5-8)20-21-13(9)16/h3-7H,1-2H3,(H3,16,20,21)(H2,17,18,19)
InChIKeyQBPMDFDPUIVKQA-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.11
Rot. Bonds2

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

3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905239) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905239
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3c(N)n[nH]c3c2)c2c(N)ncnc21
InChIInChI=1S/C15H16N8/c1-7(2)23-15-11(14(17)18-6-19-15)12(22-23)8-3-4-9-10(5-8)20-21-13(9)16/h3-7H,1-2H3,(H3,16,20,21)(H2,17,18,19)
InChIKeyQBPMDFDPUIVKQA-UHFFFAOYSA-N
XLogP2.11
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905239) is 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3c(N)n[nH]c3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QBPMDFDPUIVKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-7(2)23-15-11(14(17)18-6-19-15)12(22-23)8-3-4-9-10(5-8)20-21-13(9)16/h3-7H,1-2H3,(H3,16,20,21)(H2,17,18,19).
What are the key properties of 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 308.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-indazol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).