3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile

C16H18N8O — CID 86774349

IUPAC3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
SMILESCc1noc(C2CCCN(c3ncnc4c3cnn4CCC#N)C2)n1
InChIInChI=1S/C16H18N8O/c1-11-21-16(25-22-11)12-4-2-6-23(9-12)14-13-8-20-24(7-3-5-17)15(13)19-10-18-14/h8,10,12H,2-4,6-7,9H2,1H3
InChIKeyVFDWGRNJHVFLQM-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.82
Rot. Bonds4

About 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile

3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile (PubChem CID 86774349) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
PubChem CID86774349
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
SMILESCc1noc(C2CCCN(c3ncnc4c3cnn4CCC#N)C2)n1
InChIInChI=1S/C16H18N8O/c1-11-21-16(25-22-11)12-4-2-6-23(9-12)14-13-8-20-24(7-3-5-17)15(13)19-10-18-14/h8,10,12H,2-4,6-7,9H2,1H3
InChIKeyVFDWGRNJHVFLQM-UHFFFAOYSA-N
XLogP1.82
TPSA109.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 86808870
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 86774067
3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile
CID 86774014
2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774237
4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122137130
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 86774154
5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 154836223
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 86774183
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile (CID 86774349) is 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile is Cc1noc(C2CCCN(c3ncnc4c3cnn4CCC#N)C2)n1.
What is the InChIKey of 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The InChIKey is VFDWGRNJHVFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-11-21-16(25-22-11)12-4-2-6-23(9-12)14-13-8-20-24(7-3-5-17)15(13)19-10-18-14/h8,10,12H,2-4,6-7,9H2,1H3.
What are the key properties of 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile has a molecular weight of 338.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile is sourced from PubChem (CID 86774349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).