5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

C14H15N7S — CID 71698524

IUPAC5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESCSc1c(C#N)c(N)nc2c(C#N)c(N3CCCCC3)nn12
InChIInChI=1S/C14H15N7S/c1-22-14-9(7-15)11(17)18-12-10(8-16)13(19-21(12)14)20-5-3-2-4-6-20/h2-6H2,1H3,(H2,17,18)
InChIKeyWGFFXBLCXQTATG-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.77
Rot. Bonds2

About 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (PubChem CID 71698524) has the molecular formula C14H15N7S and a molecular weight of 313.39 g/mol. Its IUPAC name is 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.

Molecular Properties

Compound Name5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
PubChem CID71698524
Molecular FormulaC14H15N7S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
SMILESCSc1c(C#N)c(N)nc2c(C#N)c(N3CCCCC3)nn12
InChIInChI=1S/C14H15N7S/c1-22-14-9(7-15)11(17)18-12-10(8-16)13(19-21(12)14)20-5-3-2-4-6-20/h2-6H2,1H3,(H2,17,18)
InChIKeyWGFFXBLCXQTATG-UHFFFAOYSA-N
XLogP1.77
TPSA107.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The IUPAC name of 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile (CID 71698524) is 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile.
What is the SMILES notation for 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The canonical SMILES for 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is CSc1c(C#N)c(N)nc2c(C#N)c(N3CCCCC3)nn12.
What is the InChIKey of 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
The InChIKey is WGFFXBLCXQTATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7S/c1-22-14-9(7-15)11(17)18-12-10(8-16)13(19-21(12)14)20-5-3-2-4-6-20/h2-6H2,1H3,(H2,17,18).
What are the key properties of 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile?
5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile has a molecular weight of 313.39 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile is sourced from PubChem (CID 71698524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).