4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine

C16H16N4O2S — CID 7199646

IUPAC4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(SCCC4OCCO4)ncnc32)cc1
InChIInChI=1S/C16H16N4O2S/c1-2-4-12(5-3-1)20-15-13(10-19-20)16(18-11-17-15)23-9-6-14-21-7-8-22-14/h1-5,10-11,14H,6-9H2
InChIKeyIJRJHGLJHRAEMB-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.67
Rot. Bonds5

About 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine

4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 7199646) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID7199646
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(SCCC4OCCO4)ncnc32)cc1
InChIInChI=1S/C16H16N4O2S/c1-2-4-12(5-3-1)20-15-13(10-19-20)16(18-11-17-15)23-9-6-14-21-7-8-22-14/h1-5,10-11,14H,6-9H2
InChIKeyIJRJHGLJHRAEMB-UHFFFAOYSA-N
XLogP2.67
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine 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 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 7199646) is 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(SCCC4OCCO4)ncnc32)cc1.
What is the InChIKey of 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is IJRJHGLJHRAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-4-12(5-3-1)20-15-13(10-19-20)16(18-11-17-15)23-9-6-14-21-7-8-22-14/h1-5,10-11,14H,6-9H2.
What are the key properties of 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 328.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7199646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).