3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile

C12H14N6O — CID 86774014

IUPAC3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile
SMILESN#CCCn1ncc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C12H14N6O/c13-2-1-3-18-12-10(8-16-18)11(14-9-15-12)17-4-6-19-7-5-17/h8-9H,1,3-7H2
InChIKeyKKMVJORCPVQFSY-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.58
Rot. Bonds3

About 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile

3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile (PubChem CID 86774014) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile
PubChem CID86774014
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile
SMILESN#CCCn1ncc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C12H14N6O/c13-2-1-3-18-12-10(8-16-18)11(14-9-15-12)17-4-6-19-7-5-17/h8-9H,1,3-7H2
InChIKeyKKMVJORCPVQFSY-UHFFFAOYSA-N
XLogP0.58
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-[1-(2-phenoxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 1098828
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 86774183
3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 86774349
1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 86774154
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42099739
N-(2-ethoxyphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196400
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 86774053
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 84818538

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile?
The IUPAC name of 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile (CID 86774014) is 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile is N#CCCn1ncc2c(N3CCOCC3)ncnc21.
What is the InChIKey of 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile?
The InChIKey is KKMVJORCPVQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c13-2-1-3-18-12-10(8-16-18)11(14-9-15-12)17-4-6-19-7-5-17/h8-9H,1,3-7H2.
What are the key properties of 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile?
3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile has a molecular weight of 258.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile is sourced from PubChem (CID 86774014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).