3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile

C15H14N6S — CID 86774183

IUPAC3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
SMILESN#CCCn1ncc2c(N3CCc4sccc4C3)ncnc21
InChIInChI=1S/C15H14N6S/c16-4-1-5-21-15-12(8-19-21)14(17-10-18-15)20-6-2-13-11(9-20)3-7-22-13/h3,7-8,10H,1-2,5-6,9H2
InChIKeyIJEZKYHGDLKBSP-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.36
Rot. Bonds3

About 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile

3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile (PubChem CID 86774183) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
PubChem CID86774183
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
SMILESN#CCCn1ncc2c(N3CCc4sccc4C3)ncnc21
InChIInChI=1S/C15H14N6S/c16-4-1-5-21-15-12(8-19-21)14(17-10-18-15)20-6-2-13-11(9-20)3-7-22-13/h3,7-8,10H,1-2,5-6,9H2
InChIKeyIJEZKYHGDLKBSP-UHFFFAOYSA-N
XLogP2.36
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)propanenitrile
CID 86774014
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-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 86774349
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-6-amine
CID 64586865
1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 86774154
5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56886463
3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile
CID 86774345
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60711063
3-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 95146143
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80764105
[5-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]methanol
CID 61252229

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile (CID 86774183) is 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile is N#CCCn1ncc2c(N3CCc4sccc4C3)ncnc21.
What is the InChIKey of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
The InChIKey is IJEZKYHGDLKBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c16-4-1-5-21-15-12(8-19-21)14(17-10-18-15)20-6-2-13-11(9-20)3-7-22-13/h3,7-8,10H,1-2,5-6,9H2.
What are the key properties of 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile?
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile has a molecular weight of 310.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile is sourced from PubChem (CID 86774183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).