2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide

C17H12ClN7OS — CID 71454226

IUPAC2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ncccn1
InChIInChI=1S/C17H12ClN7OS/c18-12-4-1-2-5-13(12)25-15-11(8-23-25)16(22-10-21-15)27-9-14(26)24-17-19-6-3-7-20-17/h1-8,10H,9H2,(H,19,20,24,26)
InChIKeyZUHPARLSVZAEPA-UHFFFAOYSA-N
MW397.85 g/mol
LogP2.99
Rot. Bonds5

About 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 71454226) has the molecular formula C17H12ClN7OS and a molecular weight of 397.85 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID71454226
Molecular FormulaC17H12ClN7OS
Molecular Weight397.85 g/mol
Exact Mass397.05
IUPAC Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ncccn1
InChIInChI=1S/C17H12ClN7OS/c18-12-4-1-2-5-13(12)25-15-11(8-23-25)16(22-10-21-15)27-9-14(26)24-17-19-6-3-7-20-17/h1-8,10H,9H2,(H,19,20,24,26)
InChIKeyZUHPARLSVZAEPA-UHFFFAOYSA-N
XLogP2.99
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide (CID 71454226) is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide is O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1ncccn1.
What is the InChIKey of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is ZUHPARLSVZAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN7OS/c18-12-4-1-2-5-13(12)25-15-11(8-23-25)16(22-10-21-15)27-9-14(26)24-17-19-6-3-7-20-17/h1-8,10H,9H2,(H,19,20,24,26).
What are the key properties of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide?
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 397.85 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 71454226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).