3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H16N6 — CID 24905217

IUPAC3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3ccncc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-4-3-11-5-6-19-8-13(11)7-12/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyMONJJHLZSIEMDE-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.20
Rot. Bonds2

About 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905217) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905217
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3ccncc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-4-3-11-5-6-19-8-13(11)7-12/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyMONJJHLZSIEMDE-UHFFFAOYSA-N
XLogP3.20
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905217) is 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3ccncc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MONJJHLZSIEMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-4-3-11-5-6-19-8-13(11)7-12/h3-10H,1-2H3,(H2,18,20,21).
What are the key properties of 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 304.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-7-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).