4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C18H19Cl2N5OS — CID 25185134

IUPAC4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C18H19Cl2N5OS/c1-27-18-22-16(24-6-8-26-9-7-24)14-10-21-25(17(14)23-18)11-15(20)12-2-4-13(19)5-3-12/h2-5,10,15H,6-9,11H2,1H3
InChIKeyGIDPNLGXOPGEOE-UHFFFAOYSA-N
MW424.36 g/mol
LogP4.02
Rot. Bonds5

About 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 25185134) has the molecular formula C18H19Cl2N5OS and a molecular weight of 424.36 g/mol. Its IUPAC name is 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID25185134
Molecular FormulaC18H19Cl2N5OS
Molecular Weight424.36 g/mol
Exact Mass423.07
IUPAC Name4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C18H19Cl2N5OS/c1-27-18-22-16(24-6-8-26-9-7-24)14-10-21-25(17(14)23-18)11-15(20)12-2-4-13(19)5-3-12/h2-5,10,15H,6-9,11H2,1H3
InChIKeyGIDPNLGXOPGEOE-UHFFFAOYSA-N
XLogP4.02
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 25185134) is 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is GIDPNLGXOPGEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5OS/c1-27-18-22-16(24-6-8-26-9-7-24)14-10-21-25(17(14)23-18)11-15(20)12-2-4-13(19)5-3-12/h2-5,10,15H,6-9,11H2,1H3.
What are the key properties of 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 424.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-chloro-2-(4-chlorophenyl)ethyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 25185134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).