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

C20H23ClN6O2S — CID 16901899

IUPAC2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H23ClN6O2S/c1-30-20-24-18(26-8-10-29-11-9-26)16-13-23-27(19(16)25-20)7-6-22-17(28)12-14-2-4-15(21)5-3-14/h2-5,13H,6-12H2,1H3,(H,22,28)
InChIKeyNSQURFXBRVQULB-UHFFFAOYSA-N
MW446.96 g/mol
LogP2.40
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (PubChem CID 16901899) has the molecular formula C20H23ClN6O2S and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
PubChem CID16901899
Molecular FormulaC20H23ClN6O2S
Molecular Weight446.96 g/mol
Exact Mass446.13
IUPAC Name2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H23ClN6O2S/c1-30-20-24-18(26-8-10-29-11-9-26)16-13-23-27(19(16)25-20)7-6-22-17(28)12-14-2-4-15(21)5-3-14/h2-5,13H,6-12H2,1H3,(H,22,28)
InChIKeyNSQURFXBRVQULB-UHFFFAOYSA-N
XLogP2.40
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (CID 16901899) is 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3ccc(Cl)cc3)c2n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The InChIKey is NSQURFXBRVQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2S/c1-30-20-24-18(26-8-10-29-11-9-26)16-13-23-27(19(16)25-20)7-6-22-17(28)12-14-2-4-15(21)5-3-14/h2-5,13H,6-12H2,1H3,(H,22,28).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide has a molecular weight of 446.96 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 16901899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).