3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile

C17H20N8 — CID 86774308

IUPAC3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile
SMILESCCN(CC)c1ccc(Nc2ncnc3c2cnn3CCC#N)cn1
InChIInChI=1S/C17H20N8/c1-3-24(4-2)15-7-6-13(10-19-15)23-16-14-11-22-25(9-5-8-18)17(14)21-12-20-16/h6-7,10-12H,3-5,9H2,1-2H3,(H,20,21,23)
InChIKeyCULKVEOBWRZYOV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.72
Rot. Bonds7

About 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile

3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile (PubChem CID 86774308) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile
PubChem CID86774308
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile
SMILESCCN(CC)c1ccc(Nc2ncnc3c2cnn3CCC#N)cn1
InChIInChI=1S/C17H20N8/c1-3-24(4-2)15-7-6-13(10-19-15)23-16-14-11-22-25(9-5-8-18)17(14)21-12-20-16/h6-7,10-12H,3-5,9H2,1-2H3,(H,20,21,23)
InChIKeyCULKVEOBWRZYOV-UHFFFAOYSA-N
XLogP2.72
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile (CID 86774308) is 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile is CCN(CC)c1ccc(Nc2ncnc3c2cnn3CCC#N)cn1.
What is the InChIKey of 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile?
The InChIKey is CULKVEOBWRZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-3-24(4-2)15-7-6-13(10-19-15)23-16-14-11-22-25(9-5-8-18)17(14)21-12-20-16/h6-7,10-12H,3-5,9H2,1-2H3,(H,20,21,23).
What are the key properties of 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile?
3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile has a molecular weight of 336.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-(diethylamino)-3-pyridinyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile is sourced from PubChem (CID 86774308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).