N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide

C18H22N6O2S2 — CID 16839773

IUPACN-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccs3)c2n1
InChIInChI=1S/C18H22N6O2S2/c1-27-18-21-16(23-6-8-26-9-7-23)14-12-20-24(17(14)22-18)5-4-19-15(25)11-13-3-2-10-28-13/h2-3,10,12H,4-9,11H2,1H3,(H,19,25)
InChIKeyLNEHWYBTIPCCCW-UHFFFAOYSA-N
MW418.55 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 16839773) has the molecular formula C18H22N6O2S2 and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID16839773
Molecular FormulaC18H22N6O2S2
Molecular Weight418.55 g/mol
Exact Mass418.12
IUPAC NameN-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccs3)c2n1
InChIInChI=1S/C18H22N6O2S2/c1-27-18-21-16(23-6-8-26-9-7-23)14-12-20-24(17(14)22-18)5-4-19-15(25)11-13-3-2-10-28-13/h2-3,10,12H,4-9,11H2,1H3,(H,19,25)
InChIKeyLNEHWYBTIPCCCW-UHFFFAOYSA-N
XLogP1.81
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 16839773) is N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide is CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccs3)c2n1.
What is the InChIKey of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is LNEHWYBTIPCCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S2/c1-27-18-21-16(23-6-8-26-9-7-23)14-12-20-24(17(14)22-18)5-4-19-15(25)11-13-3-2-10-28-13/h2-3,10,12H,4-9,11H2,1H3,(H,19,25).
What are the key properties of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 418.55 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16839773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).