N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide

C20H17ClN6OS — CID 2820665

IUPACN-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc2ncc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)c(C)n2n1
InChIInChI=1S/C20H17ClN6OS/c1-12-9-18-23-10-16(13(2)27(18)26-12)17-7-8-22-20(25-17)29-11-19(28)24-15-5-3-14(21)4-6-15/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyGVHFBYSAVATUEZ-UHFFFAOYSA-N
MW424.92 g/mol
LogP4.19
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2820665) has the molecular formula C20H17ClN6OS and a molecular weight of 424.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID2820665
Molecular FormulaC20H17ClN6OS
Molecular Weight424.92 g/mol
Exact Mass424.09
IUPAC NameN-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc2ncc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)c(C)n2n1
InChIInChI=1S/C20H17ClN6OS/c1-12-9-18-23-10-16(13(2)27(18)26-12)17-7-8-22-20(25-17)29-11-19(28)24-15-5-3-14(21)4-6-15/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyGVHFBYSAVATUEZ-UHFFFAOYSA-N
XLogP4.19
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide 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 N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide (CID 2820665) is N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc2ncc(-c3ccnc(SCC(=O)Nc4ccc(Cl)cc4)n3)c(C)n2n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is GVHFBYSAVATUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6OS/c1-12-9-18-23-10-16(13(2)27(18)26-12)17-7-8-22-20(25-17)29-11-19(28)24-15-5-3-14(21)4-6-15/h3-10H,11H2,1-2H3,(H,24,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 424.92 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2820665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).